BioLiP

PDB

BioLiP

PDB CCD ID:

V6L

Number of entries in BioLiP:

Chemical formula:

C10 H15 N3 O

InChI:

InChI=1S/C10H15N3O/c1-7-6-9(13-12-7)10(14)11-8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,11,14)(H,12,13)

InChIKey:

VOPDIXWMEBTVAM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	Cc1cc([nH]n1)C(=O)NC2CCCC2

Name:

~{N}-cyclopentyl-3-methyl-1~{H}-pyrazole-5-carboxamide

ZINC:

ZINC000071112499

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).