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BioLiP

PDB CCD ID: H1P
Number of entries in BioLiP: 1
Chemical formula: C16 H12 F N O
InChI: InChI=1S/C16H12FNO/c17-13-9-7-12(8-10-13)14-4-1-2-5-15(14)18-11-3-6-16(18)19/h1-5,7-11H,6H2
InChIKey: XQHVGZKJQZFCRP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2cc(c(c1ccc(F)cc1)cc2)N3C(CC=C3)=O
OpenEye OEToolkits 2.0.6c1ccc(c(c1)c2ccc(cc2)F)N3C=CCC3=O
CACTVS 3.385Fc1ccc(cc1)c2ccccc2N3C=CCC3=O
Name:1-(4'-fluoro[1,1'-biphenyl]-2-yl)-1,3-dihydro-2H-pyrrol-2-one
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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