SEQ2FUN

BioLiP

PDB CCD ID: WPZ
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N3 O
InChI: InChI=1S/C10H9N3O/c1-7-10(14)11-9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14)
InChIKey: GQOHHBLOVGBIIF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Oc1nc(nnc1C)c1ccccc1
OpenEye OEToolkits 2.0.7Cc1c(nc(nn1)c2ccccc2)O
CACTVS 3.385Cc1nnc(nc1O)c2ccccc2
Name:6-methyl-3-phenyl-1,2,4-triazin-5-ol
ChEMBL: CHEMBL1533462
ZINC: ZINC000015986903
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).