BioLiP

PDB

BioLiP

PDB CCD ID:

V60

Number of entries in BioLiP:

Chemical formula:

C8 H13 N3 O

InChI:

InChI=1S/C8H13N3O/c1-6(2)5-9-8(12)7-3-4-10-11-7/h3-4,6H,5H2,1-2H3,(H,9,12)(H,10,11)

InChIKey:

GXCQKWVJCHWJQZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(C)CNC(=O)c1cc[nH]n1

Name:

~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide

ZINC:

ZINC000070227001

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).