SEQ2FUN

BioLiP

PDB CCD ID: 7GD
Number of entries in BioLiP: 5
Chemical formula: C12 H11 N5
InChI: InChI=1S/C12H11N5/c13-10-7-9(6-8-4-2-1-3-5-8)11-12(14-10)16-17-15-11/h1-5,7H,6H2,(H3,13,14,15,16,17)
InChIKey: SGFFXIGIHATQNC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)Cc2cc(nc3c2[nH]nn3)N
ACDLabs 12.01c1c(cccc1)Cc2cc(nc3c2nnn3)N
CACTVS 3.385Nc1cc(Cc2ccccc2)c3[nH]nnc3n1
Name:7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
ChEMBL: CHEMBL4753981
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).