SEQ2FUN

BioLiP

PDB CCD ID: LQG
Number of entries in BioLiP: 2
Chemical formula: C12 H9 N5 O
InChI: InChI=1S/C12H9N5O/c13-6-9-3-4-11-16-15-8-17(11)12(9)14-7-10-2-1-5-18-10/h1-5,8,14H,7H2
InChIKey: HNQBUBGQBZCBSB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(oc1)CNc2c(ccc3n2cnn3)C#N
CACTVS 3.385N#Cc1ccc2nncn2c1NCc3occc3
Name:5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
ChEMBL: CHEMBL4063655
ZINC: ZINC000584905617
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).