SEQ2FUN

BioLiP

PDB CCD ID: RX8
Number of entries in BioLiP: 18
Chemical formula: C17 H22 N4 O2
InChI: InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)
InChIKey: BXNMTOQRYBFHNZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
OpenEye OEToolkits 1.7.6CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N
ACDLabs 12.01n3c1ccccc1c2c(nc(n2CC(O)(C)C)COCC)c3N
Name:1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;
R848;
Resiquimod
ChEMBL: CHEMBL383322
DrugBank: DB06530
ZINC: ZINC000028572103
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).