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BioLiP

PDB CCD ID: 2ZY
Number of entries in BioLiP: 0
Chemical formula: C13 H9 F5 N2 O2
InChI: InChI=1S/C13H9F5N2O2/c1-6-19-10(12(22)20(6)5-13(16,17)18)4-7-2-8(14)11(21)9(15)3-7/h2-4,21H,5H2,1H3/b10-4-
InChIKey: AWYCLBWNRONMQC-WMZJFQQLSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1C(\N=C(N1CC(F)(F)F)C)=C\c2cc(F)c(O)c(F)c2
OpenEye OEToolkits 1.7.6CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1CC(F)(F)F
CACTVS 3.385CC1=NC(=Cc2cc(F)c(O)c(F)c2)C(=O)N1CC(F)(F)F
CACTVS 3.385CC1=NC(=C/c2cc(F)c(O)c(F)c2)\C(=O)N1CC(F)(F)F
OpenEye OEToolkits 1.7.6CC1=NC(=Cc2cc(c(c(c2)F)O)F)C(=O)N1CC(F)(F)F
Name:(5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one
ZINC: ZINC000098208365
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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