SEQ2FUN

BioLiP

PDB CCD ID: A1ASL
Number of entries in BioLiP: 1
Chemical formula: C14 H15 N5
InChI: InChI=1S/C14H15N5/c1-9-4-5-12(10(2)6-9)17-13-7-11(3)16-14-18-15-8-19(13)14/h4-8,17H,1-3H3
InChIKey: GVIZORPSBMMNBL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		Cc1ccc(Nc2cc(C)nc3nncn23)c(C)c1
OpenEye OEToolkits 2.0.7Cc1ccc(c(c1)C)Nc2cc(nc3n2cnn3)C
Name:(4R)-N-(2,4-dimethylphenyl)-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
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).