BioLiP

PDB

BioLiP

PDB CCD ID:

YAZ

Number of entries in BioLiP:

Chemical formula:

C9 H7 Cl O3

InChI:

InChI=1S/C9H7ClO3/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5,11H,(H,12,13)/b4-2+

InChIKey:

VOTXWNQLOVWHNB-DUXPYHPUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(c(cc1C=CC(=O)O)Cl)O
OpenEye OEToolkits 2.0.6	c1cc(c(cc1/C=C/C(=O)O)Cl)O
ACDLabs 12.01	C(=O)(O)\C=C\c1cc(Cl)c(cc1)O
CACTVS 3.385	OC(=O)C=Cc1ccc(O)c(Cl)c1
CACTVS 3.385	OC(=O)\C=C\c1ccc(O)c(Cl)c1

Name:

(2E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid

ZINC:

ZINC000002504928

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).