BioLiP

PDB

BioLiP

PDB CCD ID:

GW5

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.7.5	CC/C(=C(\c1ccccc1)/c2ccc(cc2)/C=C/C(=O)O)/c3ccccc3
CACTVS 3.385	CCC(c1ccccc1)=C(c2ccccc2)c3ccc(C=CC(O)=O)cc3
CACTVS 3.385	CCC(/c1ccccc1)=C(\c2ccccc2)c3ccc(\C=C\C(O)=O)cc3
ACDLabs 10.04	O=C(O)\C=C\c3ccc(\C(=C(/c1ccccc1)CC)c2ccccc2)cc3
OpenEye OEToolkits 1.7.5	CCC(=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, Lydia 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).