BioLiP

PDB

BioLiP

PDB CCD ID:

68W

Number of entries in BioLiP:

Chemical formula:

C20 H16 N2 O3

InChI:

InChI=1S/C20H16N2O3/c23-19(24)16-9-5-11-18(13-16)22-20(25)21-17-10-4-8-15(12-17)14-6-2-1-3-7-14/h1-13H,(H,23,24)(H2,21,22,25)

InChIKey:

FMMGJYWGPFRVFI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1ccc(cc1)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)O
CACTVS 3.385	OC(=O)c1cccc(NC(=O)Nc2cccc(c2)c3ccccc3)c1
ACDLabs 12.01	O=C(O)c1cc(ccc1)NC(Nc2cc(ccc2)c3ccccc3)=O

Name:

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

ChEMBL:

CHEMBL4786399

ZINC:

ZINC000584904698

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).