BioLiP

PDB

BioLiP

PDB CCD ID:

V2T

Number of entries in BioLiP:

Chemical formula:

C12 H11 N3 O2

InChI:

InChI=1S/C12H11N3O2/c1-15-7-6-11(14-15)13-12(17)10-4-2-9(8-16)3-5-10/h2-8H,1H3,(H,13,14,17)

InChIKey:

UNHIRXLYGSCEKF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1ccc(NC(=O)c2ccc(C=O)cc2)n1
OpenEye OEToolkits 2.0.7	Cn1ccc(n1)NC(=O)c2ccc(cc2)C=O

Name:

4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide

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).