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BioLiP

PDB CCD ID: Q71
Number of entries in BioLiP: 2
Chemical formula: C7 H5 F N2 O3 S
InChI: InChI=1S/C7H5FN2O3S/c8-4-1-2-5-6(3-4)14(12,13)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChIKey: ITUAGWGFDMMEMY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc2NC(=O)N[S](=O)(=O)c2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1F)S(=O)(=O)NC(=O)N2
ACDLabs 12.01c1(F)cc2c(cc1)NC(NS2(=O)=O)=O
Name:7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
ChEMBL: CHEMBL4571323
ZINC: ZINC000038236008
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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