BioLiP

PDB

BioLiP

PDB CCD ID:

Q5L

Number of entries in BioLiP:

Chemical formula:

C7 H11 N3 O

InChI:

InChI=1S/C7H11N3O/c1-5(2)9-7(11)6-3-4-8-10-6/h3-5H,1-2H3,(H,8,10)(H,9,11)

InChIKey:

KIDXTSGRYSIIRY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(NC(C)C)c1cc[NH]n1
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(C)NC(=O)c1cc[nH]n1

Name:

N-(propan-2-yl)-1H-pyrazole-3-carboxamide

ZINC:

ZINC000065402338

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).