BioLiP

PDB

BioLiP

PDB CCD ID:

KLW

Number of entries in BioLiP:

Chemical formula:

C8 H7 N O3

InChI:

InChI=1S/C8H7NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10)(H,11,12)

InChIKey:

CYMRPDYINXWJFU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	NC(=O)c1ccccc1C(O)=O
ACDLabs 12.01	O=C(O)c1ccccc1C(=O)N
OpenEye OEToolkits 1.7.6	c1ccc(c(c1)C(=O)N)C(=O)O

Name:

2-carbamoylbenzoic acid

ZINC:

ZINC000000404206

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).