SEQ2FUN

BioLiP

PDB CCD ID: M0A
Number of entries in BioLiP: 1
Chemical formula: C22 H25 N5
InChI: InChI=1S/C22H25N5/c1-2-3-11-19-26-20-21(17-9-4-5-10-18(17)25-22(20)24)27(19)14-16-8-6-7-15(12-16)13-23/h4-10,12H,2-3,11,13-14,23H2,1H3,(H2,24,25)
InChIKey: AKLBWCHTGHQPMA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCc1nc2c(N)nc3ccccc3c2n1Cc4cccc(CN)c4
OpenEye OEToolkits 1.9.2CCCCc1nc2c(n1Cc3cccc(c3)CN)c4ccccc4nc2N
Name:1-[[3-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine
ChEMBL: CHEMBL1271705
ZINC: ZINC000064528094
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).