(2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
type: datablock
datablock name: 5KL
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has pdbx chem comp audit category: pdbx chem comp auditCategory
has pdbx chem comp descriptor category: pdbx chem comp descriptorCategory
has pdbx chem comp identifier category: pdbx chem comp identifierCategory

5KL
type: chem comp
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
chem comp.id: 5KL
chem comp.formula: C11 H13 N O2
chem comp.formula weight: 191.226
chem comp.name: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
chem comp.pdbx ambiguous flag: N
chem comp.pdbx formal charge: 0
chem comp.pdbx ideal coordinates details: Corina
chem comp.pdbx ideal coordinates missing flag: N
chem comp.pdbx initial date: 2015-10-12
chem comp.pdbx model coordinates db code: 5E7D
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2016-10-07
chem comp.pdbx processing site: EBI
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: 5KL
chem comp.type: non-polymer

CAA,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: CAA
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: 26.820
chem comp atom.model cartn y: 33.413
chem comp atom.model cartn z: -12.157
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CAA
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.551
chem comp atom.pdbx model cartn y ideal: 1.696
chem comp atom.pdbx model cartn z ideal: -0.014
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

NAB,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: NAB
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: N1
chem comp atom.charge: 0
chem comp atom.model cartn x: 26.243
chem comp atom.model cartn y: 34.568
chem comp atom.model cartn z: -11.352
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: NAB
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.617
chem comp atom.pdbx model cartn y ideal: 0.233
chem comp atom.pdbx model cartn z ideal: -0.003
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

CAC,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: CAC
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: 25.976
chem comp atom.model cartn y: 35.771
chem comp atom.model cartn z: -12.199
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CAC
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.918
chem comp atom.pdbx model cartn y ideal: -0.442
chem comp atom.pdbx model cartn z ideal: 0.001
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CAD,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: CAD
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: 26.896
chem comp atom.model cartn y: 34.780
chem comp atom.model cartn z: -10.175
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CAD
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.467
chem comp atom.pdbx model cartn y ideal: -0.503
chem comp atom.pdbx model cartn z ideal: 0.005
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CAE,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: CAE
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: 26.876
chem comp atom.model cartn y: 35.940
chem comp atom.model cartn z: -9.370
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CAE
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.267
chem comp atom.pdbx model cartn y ideal: 0.119
chem comp atom.pdbx model cartn z ideal: 0.001
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CAF,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: CAF
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: 27.575
chem comp atom.model cartn y: 36.039
chem comp atom.model cartn z: -8.133
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CAF
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.076
chem comp atom.pdbx model cartn y ideal: -0.642
chem comp atom.pdbx model cartn z ideal: 0.009
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

OAN,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: OAN
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: 28.240
chem comp atom.model cartn y: 35.083
chem comp atom.model cartn z: -7.716
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: OAN
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.131
chem comp atom.pdbx model cartn y ideal: -1.859
chem comp atom.pdbx model cartn z ideal: 0.019
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

CAG,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: CAG
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: 27.516
chem comp atom.model cartn y: 37.321
chem comp atom.model cartn z: -7.223
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: CAG
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.235
chem comp atom.pdbx model cartn y ideal: 0.038
chem comp atom.pdbx model cartn z ideal: 0.005
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CAH,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: CAH
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: 27.016
chem comp atom.model cartn y: 38.553
chem comp atom.model cartn z: -7.683
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: CAH
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.303
chem comp atom.pdbx model cartn y ideal: 1.433
chem comp atom.pdbx model cartn z ideal: 0.000
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CAI,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: CAI
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: 26.957
chem comp atom.model cartn y: 39.695
chem comp atom.model cartn z: -6.869
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: CAI
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.530
chem comp atom.pdbx model cartn y ideal: 2.062
chem comp atom.pdbx model cartn z ideal: -0.003
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CAJ,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: CAJ
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: 27.372
chem comp atom.model cartn y: 39.640
chem comp atom.model cartn z: -5.536
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: CAJ
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.697
chem comp atom.pdbx model cartn y ideal: 1.316
chem comp atom.pdbx model cartn z ideal: -0.001
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CAK,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: CAK
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: 27.868
chem comp atom.model cartn y: 38.402
chem comp atom.model cartn z: -5.042
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: CAK
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.644
chem comp atom.pdbx model cartn y ideal: -0.064
chem comp atom.pdbx model cartn z ideal: 0.005
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CAL,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: CAL
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: 27.927
chem comp atom.model cartn y: 37.242
chem comp atom.model cartn z: -5.869
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: CAL
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.418
chem comp atom.pdbx model cartn y ideal: -0.712
chem comp atom.pdbx model cartn z ideal: 0.013
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

OAM,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: OAM
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: O2
chem comp atom.charge: 0
chem comp atom.model cartn x: 28.390
chem comp atom.model cartn y: 36.047
chem comp atom.model cartn z: -5.319
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: OAM
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.365
chem comp atom.pdbx model cartn y ideal: -2.068
chem comp atom.pdbx model cartn z ideal: 0.024
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

H1,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: 26.998
chem comp atom.model cartn y: 32.555
chem comp atom.model cartn z: -11.492
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H1
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.533
chem comp atom.pdbx model cartn y ideal: 2.051
chem comp atom.pdbx model cartn z ideal: -1.045
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: 26.109
chem comp atom.model cartn y: 33.124
chem comp atom.model cartn z: -12.945
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H2
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.425
chem comp atom.pdbx model cartn y ideal: 2.103
chem comp atom.pdbx model cartn z ideal: 0.495
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: 27.770
chem comp atom.model cartn y: 33.725
chem comp atom.model cartn z: -12.616
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H3
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.646
chem comp atom.pdbx model cartn y ideal: 2.023
chem comp atom.pdbx model cartn z ideal: 0.498
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: 25.561
chem comp atom.model cartn y: 36.576
chem comp atom.model cartn z: -11.574
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H4
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.714
chem comp atom.pdbx model cartn y ideal: 0.303
chem comp atom.pdbx model cartn z ideal: -0.006
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: 26.916
chem comp atom.model cartn y: 36.111
chem comp atom.model cartn z: -12.659
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H5
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.003
chem comp atom.pdbx model cartn y ideal: -1.072
chem comp atom.pdbx model cartn z ideal: -0.884
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: 25.255
chem comp atom.model cartn y: 35.511
chem comp atom.model cartn z: -12.988
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H6
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.005
chem comp atom.pdbx model cartn y ideal: -1.058
chem comp atom.pdbx model cartn z ideal: 0.896
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: 27.502
chem comp atom.model cartn y: 33.962
chem comp atom.model cartn z: -9.814
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H7
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.516
chem comp atom.pdbx model cartn y ideal: -1.582
chem comp atom.pdbx model cartn z ideal: 0.014
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: 26.304
chem comp atom.model cartn y: 36.792
chem comp atom.model cartn z: -9.708
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H8
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.218
chem comp atom.pdbx model cartn y ideal: 1.198
chem comp atom.pdbx model cartn z ideal: -0.007
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: 26.664
chem comp atom.model cartn y: 38.623
chem comp atom.model cartn z: -8.702
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H9
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.395
chem comp atom.pdbx model cartn y ideal: 2.018
chem comp atom.pdbx model cartn z ideal: -0.002
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: 26.588
chem comp atom.model cartn y: 40.624
chem comp atom.model cartn z: -7.277
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H10
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.581
chem comp atom.pdbx model cartn y ideal: 3.141
chem comp atom.pdbx model cartn z ideal: -0.008
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: 27.318
chem comp atom.model cartn y: 40.511
chem comp atom.model cartn z: -4.900
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H11
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.654
chem comp atom.pdbx model cartn y ideal: 1.817
chem comp atom.pdbx model cartn z ideal: -0.004
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: H12
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: 28.207
chem comp atom.model cartn y: 38.339
chem comp atom.model cartn z: -4.019
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H12
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.558
chem comp atom.pdbx model cartn y ideal: -0.639
chem comp atom.pdbx model cartn z ideal: 0.006
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H13,5KL
type: chem comp atom
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
chem comp atom.atom id: H13
chem comp atom.comp id: 5KL
chem comp atom.alt atom id: H13
chem comp atom.charge: 0
chem comp atom.model cartn x: 28.463
chem comp atom.model cartn y: 35.391
chem comp atom.model cartn z: -6.002
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H13
chem comp atom.pdbx component comp id: 5KL
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.351
chem comp atom.pdbx model cartn y ideal: -2.468
chem comp atom.pdbx model cartn z ideal: -0.856
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

CAC,NAB,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAC
chem comp bond.atom id 2: NAB
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAA,NAB,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAA
chem comp bond.atom id 2: NAB
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NAB,CAD,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: NAB
chem comp bond.atom id 2: CAD
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAD,CAE,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAD
chem comp bond.atom id 2: CAE
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: E
chem comp bond.value order: doub

CAE,CAF,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAE
chem comp bond.atom id 2: CAF
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAF,OAN,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAF
chem comp bond.atom id 2: OAN
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CAF,CAG,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAF
chem comp bond.atom id 2: CAG
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAH,CAG,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAH
chem comp bond.atom id 2: CAG
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CAH,CAI,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAH
chem comp bond.atom id 2: CAI
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAG,CAL,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAG
chem comp bond.atom id 2: CAL
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAI,CAJ,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAI
chem comp bond.atom id 2: CAJ
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CAL,OAM,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAL
chem comp bond.atom id 2: OAM
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAL,CAK,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAL
chem comp bond.atom id 2: CAK
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CAJ,CAK,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAJ
chem comp bond.atom id 2: CAK
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAA,H1,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAA
chem comp bond.atom id 2: H1
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAA,H2,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAA
chem comp bond.atom id 2: H2
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAA,H3,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAA
chem comp bond.atom id 2: H3
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAC,H4,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAC
chem comp bond.atom id 2: H4
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAC,H5,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAC
chem comp bond.atom id 2: H5
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAC,H6,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAC
chem comp bond.atom id 2: H6
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAD,H7,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAD
chem comp bond.atom id 2: H7
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 21
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAE,H8,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAE
chem comp bond.atom id 2: H8
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAH,H9,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAH
chem comp bond.atom id 2: H9
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAI,H10,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAI
chem comp bond.atom id 2: H10
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAJ,H11,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAJ
chem comp bond.atom id 2: H11
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAK,H12,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: CAK
chem comp bond.atom id 2: H12
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 26
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OAM,H13,5KL
type: chem comp bond
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5KL/chem_comp_atom/,
chem comp bond.atom id 1: OAM
chem comp bond.atom id 2: H13
chem comp bond.comp id: 5KL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

Create component,5KL,2015-10-12
type: pdbx chem comp audit
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: 5KL
pdbx chem comp audit.date: 2015-10-12
pdbx chem comp audit.processing site: EBI

Initial release,5KL,2016-10-12
type: pdbx chem comp audit
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: 5KL
pdbx chem comp audit.date: 2016-10-12
pdbx chem comp audit.processing site: RCSB

5KL,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5KL
pdbx chem comp descriptor.program: ACDLabs
pdbx chem comp descriptor.program version: 12.01
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: CN(\C=C\C(=O)c1c(cccc1)O)C

5KL,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5KL
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChI
pdbx chem comp descriptor.descriptor: InChI=1S/C11H13NO2/c1-12(2)8-7-11(14)9-5-3-4-6-10(9)13/h3-8,13H,1-2H3/b8-7+

5KL,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5KL
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChIKey
pdbx chem comp descriptor.descriptor: SVBCOAAIOJDZNC-BQYQJAHWSA-N

5KL,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5KL
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: CN(C)\C=C\C(=O)c1ccccc1O

5KL,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5KL
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: CN(C)C=CC(=O)c1ccccc1O

5KL,OpenEye OEToolkits,1.9.2,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5KL
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.9.2
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: CN(C)/C=C/C(=O)c1ccccc1O

5KL,OpenEye OEToolkits,1.9.2,SMILES
type: pdbx chem comp descriptor
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5KL
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.9.2
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: CN(C)C=CC(=O)c1ccccc1O

5KL,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 5KL
pdbx chem comp identifier.program: ACDLabs
pdbx chem comp identifier.program version: 12.01
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one

5KL,OpenEye OEToolkits,1.9.2,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 5KL
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 1.9.2
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: (E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one