BioLiP

PDB

BioLiP

PDB CCD ID:

6EC

Number of entries in BioLiP:

Chemical formula:

C20 H16 N2 O4

InChI:

InChI=1S/C20H16N2O4/c23-18-10-9-16(12-17(18)19(24)25)22-20(26)21-15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12,23H,(H,24,25)(H2,21,22,26)

InChIKey:

BRISALGJKGCDGB-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	OC(c1c(O)ccc(c1)NC(=O)Nc2cccc(c2)c3ccccc3)=O
CACTVS 3.385	OC(=O)c1cc(NC(=O)Nc2cccc(c2)c3ccccc3)ccc1O
OpenEye OEToolkits 2.0.4	c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)C(=O)O)O

Name:

5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid

ChEMBL:

CHEMBL4740940

ZINC:

ZINC000584904675

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).