BioLiP

PDB

BioLiP

PDB CCD ID:

W1M

Number of entries in BioLiP:

Chemical formula:

C12 H11 N3 O3

InChI:

InChI=1S/C12H11N3O3/c1-15-6-5-10(14-15)11(16)13-9-4-2-3-8(7-9)12(17)18/h2-7H,1H3,(H,13,16)(H,17,18)

InChIKey:

CGFLTCVMZJDNKM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cn1ccc(n1)C(=O)Nc2cccc(c2)C(=O)O
CACTVS 3.385	Cn1ccc(n1)C(=O)Nc2cccc(c2)C(O)=O
ACDLabs 12.01	n2c(C(=O)Nc1cc(ccc1)C(=O)O)ccn2C

Name:

3-[(1-methyl-1H-pyrazole-3-carbonyl)amino]benzoic acid

ZINC:

ZINC000000136098

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).