BioLiP

PDB

BioLiP

PDB CCD ID:

SQM

Number of entries in BioLiP:

Chemical formula:

C12 H12 N4 O2

InChI:

InChI=1S/C12H12N4O2/c1-16-10(11(13)17)9(7-14-16)15-12(18)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,17)(H,15,18)

InChIKey:

RHBYLZOCKQVWCX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1ncc(NC(=O)c2ccccc2)c1C(N)=O
OpenEye OEToolkits 2.0.6	Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N

Name:

4-benzamido-2-methyl-pyrazole-3-carboxamide

ZINC:

ZINC000000040636

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).