BioLiP

PDB

BioLiP

PDB CCD ID:

M7O

Number of entries in BioLiP:

Chemical formula:

C15 H14 N2 O3

InChI:

InChI=1S/C15H14N2O3/c18-14(19)12-8-4-5-9-13(12)17-15(20)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)(H2,16,17,20)

InChIKey:

QCLRLHJAKXQKSY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccccc1NC(=O)NCc2ccccc2
OpenEye OEToolkits 2.0.6	c1ccc(cc1)CNC(=O)Nc2ccccc2C(=O)O

Name:

2-[(phenylmethyl)carbamoylamino]benzoic acid

ChEMBL:

CHEMBL561499

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).