BioLiP

PDB

BioLiP

PDB CCD ID:

A1ANA

Number of entries in BioLiP:

Chemical formula:

C9 H14 N4 O

InChI:

InChI=1S/C9H14N4O/c1-13-5-7(10)8(12-13)9(14)11-6-3-2-4-6/h5-6H,2-4,10H2,1H3,(H,11,14)

InChIKey:

NILOPFIVQCAHIP-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Nc1cn(C)nc1C(=O)NC1CCC1
OpenEye OEToolkits 2.0.7	Cn1cc(c(n1)C(=O)NC2CCC2)N
CACTVS 3.385	Cn1cc(N)c(n1)C(=O)NC2CCC2

Name:

4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide

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).