BioLiP

PDB

BioLiP

PDB CCD ID:

LNW

Number of entries in BioLiP:

Chemical formula:

C16 H14 O4

InChI:

InChI=1S/C16H14O4/c17-15(18)9-11-6-12(10-16(19)20)8-14(7-11)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,17,18)(H,19,20)

InChIKey:

VAGQJIBPPQRDCK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)Cc1cc(CC(O)=O)cc(c1)c2ccccc2
OpenEye OEToolkits 2.0.4	c1ccc(cc1)c2cc(cc(c2)CC(=O)O)CC(=O)O
ACDLabs 12.01	C(C(O)=O)c1cc(CC(=O)O)cc(c1)c2ccccc2

Name:

2,2'-biphenyl-3,5-diyldiacetic acid

ChEMBL:

CHEMBL3808465

ZINC:

ZINC000584905621

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).