SEQ2FUN

BioLiP

PDB CCD ID: A1IGX
Number of entries in BioLiP: 1
Chemical formula: C14 H15 N5
InChI: InChI=1S/C14H15N5/c1-11-16-17-14-8-7-13(18-19(11)14)15-10-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,15,18)
InChIKey: PVZFGNSODNZOQM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nnc2ccc(NCCc3ccccc3)nn12
OpenEye OEToolkits 2.0.7Cc1nnc2n1nc(cc2)NCCc3ccccc3
Name:3-methyl-~{N}-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-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).