BioLiP

PDB

BioLiP

PDB CCD ID:

UVG

Number of entries in BioLiP:

Chemical formula:

C6 H9 N3 O

InChI:

InChI=1S/C6H9N3O/c1-9(2)6(10)5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8)

InChIKey:

XHOFWFVNVHZGMB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CN(C)C(=O)c1c[nH]nc1
ACDLabs 12.01	n1ncc(c1)C(N(C)C)=O

Name:

N,N-dimethyl-1H-pyrazole-4-carboxamide

ZINC:

ZINC000036165919

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).