SEQ2FUN

BioLiP

PDB CCD ID: 25O
Number of entries in BioLiP: 1
Chemical formula: C12 H11 N5
InChI: InChI=1S/C12H11N5/c1-8-7-10(9-5-3-2-4-6-9)17-12(14-8)15-11(13)16-17/h2-7H,1H3,(H2,13,16)
InChIKey: ZCOHGHCESYZASH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(n2nc(N)nc2n1)c3ccccc3
ACDLabs 12.01n2c(cc(c1ccccc1)n3nc(nc23)N)C
OpenEye OEToolkits 1.7.6Cc1cc(n2c(n1)nc(n2)N)c3ccccc3
Name:5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
ChEMBL: CHEMBL1421650
ZINC: ZINC000000617554
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).