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BioLiP

PDB CCD ID: FYE
Number of entries in BioLiP: 2
Chemical formula: C17 H18 F N O4
InChI: InChI=1S/C17H18FNO4/c18-11-4-5-14-12(8-11)13(20)9-15(23-14)16(21)19-10-17(22)6-2-1-3-7-17/h4-5,8-9,22H,1-3,6-7,10H2,(H,19,21)
InChIKey: PHMBHONIMDVOKO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O
CACTVS 3.385OC1(CCCCC1)CNC(=O)C2=CC(=O)c3cc(F)ccc3O2
Name:6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide
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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