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BioLiP

PDB CCD ID: VFM
Number of entries in BioLiP: 3
Chemical formula: C6 H10 N4 O3 S2
InChI: InChI=1S/C6H10N4O3S2/c1-3(2)4(11)8-5-9-10-6(14-5)15(7,12)13/h3H,1-2H3,(H2,7,12,13)(H,8,9,11)
InChIKey: DVZGQBMHOJKRPI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)C(=O)Nc1sc(nn1)[S](N)(=O)=O
ACDLabs 12.01CC(C)C(=O)Nc1nnc(S(N)(=O)=O)s1
OpenEye OEToolkits 2.0.7CC(C)C(=O)Nc1nnc(s1)S(=O)(=O)N
Name:2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
ChEMBL: CHEMBL1288807
ZINC: ZINC000064573294
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)(download the PDF file).
  • 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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