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BioLiP

PDB CCD ID: 1GO
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N4 O3 S3
InChI: InChI=1S/C8H8N4O3S3/c9-18(14,15)8-12-11-7(17-8)10-6(13)4-5-2-1-3-16-5/h1-3H,4H2,(H2,9,14,15)(H,10,11,13)
InChIKey: KROUVPYNINHEBZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[S](=O)(=O)c1sc(NC(=O)Cc2sccc2)nn1
ACDLabs 12.01O=S(=O)(c1nnc(s1)NC(=O)Cc2sccc2)N
OpenEye OEToolkits 1.7.6c1cc(sc1)CC(=O)Nc2nnc(s2)S(=O)(=O)N
Name:N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
ChEMBL: CHEMBL574780
ZINC: ZINC000045288012
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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