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BioLiP Library

PDB CCD ID: 540
Number of entries in BioLiP: 2
Chemical formula: C19 H17 F N4 O
InChI: InChI=1S/C19H17FN4O/c1-10-9-21-6-5-14(10)19-23-12(3)18-11(2)22-17-15(24(18)19)7-13(20)8-16(17)25-4/h5-9H,1-4H3
InChIKey: JGRMMBRYUDVUAI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)OC)F)C
CACTVS 3.370COc1cc(F)cc2n3c(nc(C)c3c(C)nc12)c4ccncc4C
ACDLabs 12.01Fc4cc3c(nc(c2c(nc(c1ccncc1C)n23)C)C)c(OC)c4
Name:8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline
ChEMBL: CHEMBL1916113
ZINC: ZINC000072315641
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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