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BioLiP

PDB CCD ID: GW5
Number of entries in BioLiP: 5
Chemical formula: C25 H22 O2
InChI: InChI=1S/C25H22O2/c1-2-23(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-16-13-19(14-17-22)15-18-24(26)27/h3-18H,2H2,1H3,(H,26,27)/b18-15+,25-23-
InChIKey: HJQQVNIORAQATK-DDJBQNAASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.5CC/C(=C(\c1ccccc1)/c2ccc(cc2)/C=C/C(=O)O)/c3ccccc3
CACTVS 3.385CCC(c1ccccc1)=C(c2ccccc2)c3ccc(C=CC(O)=O)cc3
CACTVS 3.385CCC(/c1ccccc1)=C(\c2ccccc2)c3ccc(\C=C\C(O)=O)cc3
ACDLabs 10.04O=C(O)\C=C\c3ccc(\C(=C(/c1ccccc1)CC)c2ccccc2)cc3
OpenEye OEToolkits 1.7.5CCC(=C(c1ccccc1)c2ccc(cc2)C=CC(=O)O)c3ccccc3
Name:(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID;
GW5638;
DPC 974
ChEMBL: CHEMBL33899
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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