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BioLiP

PDB CCD ID: E3E
Number of entries in BioLiP: 0
Chemical formula: C18 H13 F N4 O
InChI: InChI=1S/C18H13FN4O/c19-14-10-15-16(9-13(14)11-3-5-20-6-4-11)23(12-1-2-12)18(24)17-21-7-8-22(15)17/h3-10,12H,1-2H2
InChIKey: UZAPAHIWOLYIFO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cnccc1c2cc3c(cc2F)-n4ccnc4C(=O)N3C5CC5
CACTVS 3.385Fc1cc2n3ccnc3C(=O)N(C4CC4)c2cc1c5ccncc5
Name:5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one
ChEMBL: CHEMBL4203118
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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