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BioLiP

PDB CCD ID: IDQ
Number of entries in BioLiP: 21
Chemical formula: C22 H25 N5
InChI: InChI=1S/C22H25N5/c1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16/h4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25)
InChIKey: SDSKFWHQCNBICO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCCc1nc2c(n1Cc3ccc(cc3)CN)c4ccccc4nc2N
CACTVS 3.385CCCCc1nc2c(N)nc3ccccc3c2n1Cc4ccc(CN)cc4
Name:1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine
ChEMBL: CHEMBL1271706
ZINC: ZINC000064513444
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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