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BioLiP

PDB CCD ID: 3DB
Number of entries in BioLiP: 0
Chemical formula: C8 H8 N4 O4 S3
InChI: InChI=1/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)/f/h12H,9H2
InChIKey: PWDGTQXZLNDOKS-TVNKGWMHCZ
SMILES:
SoftwareSMILES
CACTVS 3.341N[S](=O)(=O)c1sc(N[S](=O)(=O)c2ccccc2)nn1
ACDLabs 10.04O=S(=O)(c1nnc(s1)NS(=O)(=O)c2ccccc2)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N
Name:5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide
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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