SEQ2FUN

BioLiP

PDB CCD ID: 6T0
Number of entries in BioLiP: 8
Chemical formula: C14 H16 N4
InChI: InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)
InChIKey: DOUYETYNHWVLEO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5CC(C)Cn1cnc2c1c3ccccc3nc2N
CACTVS 3.385CC(C)Cn1cnc2c(N)nc3ccccc3c12
Name:1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
ChEMBL: CHEMBL1282
DrugBank: DB00724
ZINC: ZINC000019632912
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).