SEQ2FUN

BioLiP

PDB CCD ID: PIQ
Number of entries in BioLiP: 2
Chemical formula: C13 H12 N4
InChI: InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)
InChIKey: UQVKZNNCIHJZLS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cn1c2cc(cnc2nc1N)c3ccccc3
CACTVS 3.341Cn1c(N)nc2ncc(cc12)c3ccccc3
ACDLabs 10.04n1cc(cc2c1nc(n2C)N)c3ccccc3
Name:2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE
ChEMBL: CHEMBL1213271
DrugBank: DB08398
ZINC: ZINC000001850101
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).