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BioLiP Library

PDB CCD ID: UGK
Number of entries in BioLiP: 2
Chemical formula: C23 H21 F N6 O3
InChI: InChI=1S/C23H21FN6O3/c1-12-15(11-28(2)27-12)13-6-14-17(7-19(13)32-4)26-9-18-21(14)30(23(31)29(18)3)22-16(24)8-25-10-20(22)33-5/h6-11H,1-5H3
InChIKey: WNEFOSMCGCLLJU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cncc(F)c1N2C(=O)N(C)c3cnc4cc(OC)c(cc4c23)c5cn(C)nc5C
OpenEye OEToolkits 2.0.7Cc1c(cn(n1)C)c2cc3c(cc2OC)ncc4c3N(C(=O)N4C)c5c(cncc5F)OC
Name:8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one
ChEMBL: CHEMBL5314413
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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