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BioLiP

PDB CCD ID: FDN
Number of entries in BioLiP: 1
Chemical formula: C16 H12 F2 N2 O3
InChI: InChI=1S/C16H12F2N2O3/c1-16(12-8-7-10(17)9-13(12)18)14(21)20(15(22)23-16)19-11-5-3-2-4-6-11/h2-9,19H,1H3/t16-/m0/s1
InChIKey: OZZFJGCAYWBVBI-INIZCTEOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3F)F
CACTVS 3.341C[C@]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(F)cc3F
OpenEye OEToolkits 1.5.0CC1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3F)F
CACTVS 3.341C[C]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(F)cc3F
ACDLabs 10.04O=C2OC(C(=O)N2Nc1ccccc1)(c3ccc(F)cc3F)C
Name:(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE;
5-(2,4-DIFLUORO-PHENYL)-5-METHYL-3-PHENYLAMINO-OXAZOLIDINE-2,4-DIONE
DrugBank: DB07763
ZINC: ZINC000024798879

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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