BioLiP

PDB

BioLiP

PDB CCD ID:

VAJ

Number of entries in BioLiP:

Chemical formula:

C14 H10 O4

InChI:

InChI=1S/C14H10O4/c15-13(16)10-6-4-9(5-7-10)11-2-1-3-12(8-11)14(17)18/h1-8H,(H,15,16)(H,17,18)

InChIKey:

GSYIVQLTSZFJRV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccc(cc1)c2cccc(c2)C(O)=O
ACDLabs 12.01	c2(ccc(c1cc(ccc1)C(=O)O)cc2)C(O)=O
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)O

Name:

[1,1'-biphenyl]-3,4'-dicarboxylic acid

ZINC:

ZINC000035785283

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).