BioLiP

PDB

BioLiP

PDB CCD ID:

A1EFQ

Number of entries in BioLiP:

Chemical formula:

C5 H6 N2 O

InChI:

InChI=1S/C5H6N2O/c1-4(8)5-2-3-6-7-5/h2-3H,1H3,(H,6,7)

InChIKey:

BHTZCIGVYSJBQB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(=O)c1cc[nH]n1

Name:

1-(1H-pyrazol-3-yl)ethanone

ChEMBL:

CHEMBL3275951

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).