SEQ2FUN

BioLiP

PDB CCD ID: C09
Number of entries in BioLiP: 13
Chemical formula: C13 H14 N4 O
InChI: InChI=1S/C13H14N4O/c1-2-18-7-10-16-11-8-5-3-4-6-9(8)15-13(14)12(11)17-10/h3-6H,2,7H2,1H3,(H2,14,15)(H,16,17)
InChIKey: DEVCLHVFELRPIU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCOCc1[nH]c2c3ccccc3nc(c2n1)N
CACTVS 3.370CCOCc1[nH]c2c3ccccc3nc(N)c2n1
ACDLabs 12.01n3c1ccccc1c2c(nc(n2)COCC)c3N
Name:2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine;
CL097
ChEMBL: CHEMBL4081845
ZINC: ZINC000035855615
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).