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BioLiP

PDB CCD ID: 1QV
Number of entries in BioLiP: 1
Chemical formula: C7 H2 F4 N2 O2 S2
InChI: InChI=1S/C7H2F4N2O2S2/c8-1-2(9)4(11)6-5(3(1)10)13-7(16-6)17(12,14)15/h(H2,12,14,15)
InChIKey: LKDBBZQZZJMNJW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(c1nc2c(F)c(F)c(F)c(F)c2s1)N
CACTVS 3.370N[S](=O)(=O)c1sc2c(F)c(F)c(F)c(F)c2n1
OpenEye OEToolkits 1.7.6c12c(c(c(c(c1sc(n2)S(=O)(=O)N)F)F)F)F
Name:4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide
ZINC: ZINC000095920634
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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