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BioLiP Library

PDB CCD ID: BYM
Number of entries in BioLiP: 1
Chemical formula: C11 H5 F2 N O4 S
InChI: InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16)/b8-4-
InChIKey: SRLVNYDXMUGOFI-YWEYNIOJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1\C=C/3\C(=O)NC(=O)S3)OC(O2)(F)F
CACTVS 3.341FC1(F)Oc2ccc(cc2O1)C=C3SC(=O)NC3=O
CACTVS 3.341FC1(F)Oc2ccc(cc2O1)/C=C/3SC(=O)NC/3=O
OpenEye OEToolkits 1.5.0c1cc2c(cc1C=C3C(=O)NC(=O)S3)OC(O2)(F)F
ACDLabs 10.04O=C1C(\SC(=O)N1)=C\c3ccc2OC(F)(F)Oc2c3
Name:(5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE
ChEMBL: CHEMBL1231533
DrugBank: DB07503
ZINC: ZINC000033821235
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)(download the PDF file).
  • 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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