BioLiP

PDB

BioLiP

PDB CCD ID:

XLO

Number of entries in BioLiP:

Chemical formula:

C15 H11 Cl O3

InChI:

InChI=1S/C15H11ClO3/c16-14-9-13(17)7-6-11(14)5-4-10-2-1-3-12(8-10)15(18)19/h1-9,17H,(H,18,19)/b5-4+

InChIKey:

FFFUYAAIQHIBGO-SNAWJCMRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2Cl)O
CACTVS 3.385	Oc1ccc(C=Cc2cccc(c2)C(O)=O)c(Cl)c1
ACDLabs 12.01	c2ccc(\C=C\c1c(cc(cc1)O)Cl)cc2C(O)=O
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)C(=O)O)C=Cc2ccc(cc2Cl)O
CACTVS 3.385	Oc1ccc(/C=C/c2cccc(c2)C(O)=O)c(Cl)c1

Name:

3-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzoic acid

ChEMBL:

CHEMBL4069407

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).