BioLiP

PDB

BioLiP

PDB CCD ID:

2YL

Number of entries in BioLiP:

Chemical formula:

C9 H8 N4 O

InChI:

InChI=1S/C9H8N4O/c10-8-11-7(12-9(14)13-8)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13,14)

InChIKey:

ZBKCUYOBOGCDKC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C1N=C(N=C(N)N1)c2ccccc2
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C2=NC(=O)NC(=N2)N
CACTVS 3.385	NC1=NC(=NC(=O)N1)c2ccccc2

Name:

6-amino-4-phenyl-1,3,5-triazin-2(1H)-one

ZINC:

ZINC000016889990

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).