BioLiP

PDB

BioLiP

PDB CCD ID:

A1I2O

Number of entries in BioLiP:

Chemical formula:

C8 H7 N3 O

InChI:

InChI=1S/C8H7N3O/c12-8-10-9-6-11(8)7-4-2-1-3-5-7/h1-6H,(H,10,12)

InChIKey:

UYVVGXZLFHZTKT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C1NN=CN1c2ccccc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)N2C=NNC2=O

Name:

4-phenyl-1~{H}-1,2,4-triazol-5-one

ChEMBL:

CHEMBL1872813

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).