BioLiP

PDB

BioLiP

PDB CCD ID:

WPS

Number of entries in BioLiP:

Chemical formula:

C5 H6 N4

InChI:

InChI=1S/C5H6N4/c1-3-4(2-6)5(7)9-8-3/h1H3,(H3,7,8,9)

InChIKey:

CRRHJAMDQMQGKG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1n[nH]c(N)c1C#N
OpenEye OEToolkits 2.0.7	Cc1c(c([nH]n1)N)C#N
ACDLabs 12.01	n1nc(c(C#N)c1N)C

Name:

5-amino-3-methyl-1H-pyrazole-4-carbonitrile

ZINC:

ZINC000004353708

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).