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BioLiP Library

PDB CCD ID: DD8
Number of entries in BioLiP: 2
Chemical formula: C21 H20 N4 O2
InChI: InChI=1S/C21H20N4O2/c1-24-19-13-23-18-5-4-14(15-3-2-8-22-12-15)11-17(18)20(19)25(21(24)26)16-6-9-27-10-7-16/h2-5,8,11-13,16H,6-7,9-10H2,1H3
InChIKey: QPTLAOOZWOLYLB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN1c2cnc3ccc(cc3c2N(C1=O)C4CCOCC4)c5cccnc5
CACTVS 3.385CN1C(=O)N(C2CCOCC2)c3c1cnc4ccc(cc34)c5cccnc5
Name:3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one
ChEMBL: CHEMBL4169828
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)(download the PDF file).
  • 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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