BioLiP

PDB

BioLiP

PDB CCD ID:

A1IWS

Number of entries in BioLiP:

Chemical formula:

C3 H5 N3 O

InChI:

InChI=1S/C3H5N3O/c4-2-1-3(7)6-5-2/h1H,(H4,4,5,6,7)

InChIKey:

QZBGOTVBHYKUDS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC1=CC(=O)NN1
OpenEye OEToolkits 2.0.7	C1=C(NNC1=O)N

Name:

5-azanyl-1,2-dihydropyrazol-3-one

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).