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BioLiP

PDB CCD ID: TPD
Number of entries in BioLiP: 1
Chemical formula: C9 H10 N2 O4 S4
InChI: InChI=1S/C9H10N2O4S4/c10-18(12,13)8-3-4-9(17-8)19(14,15)11-6-7-2-1-5-16-7/h1-5,11H,6H2,(H2,10,12,13)
InChIKey: STOTVDLYLKWVJB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(sc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N
CACTVS 3.341N[S](=O)(=O)c1sc(cc1)[S](=O)(=O)NCc2sccc2
ACDLabs 10.04O=S(=O)(c1sc(cc1)S(=O)(=O)NCc2sccc2)N
Name:N-(2-THIENYLMETHYL)-2,5-THIOPHENEDISULFONAMIDE
DrugBank: DB02986
ZINC: ZINC000002047847
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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