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BioLiP

PDB CCD ID: VFG
Number of entries in BioLiP: 2
Chemical formula: C5 H8 N4 O3 S2
InChI: InChI=1S/C5H8N4O3S2/c1-2-3(10)7-4-8-9-5(13-4)14(6,11)12/h2H2,1H3,(H2,6,11,12)(H,7,8,10)
InChIKey: PCBBBQKRWNGNDW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(=O)Nc1nnc(s1)S(=O)(=O)N
ACDLabs 12.01CCC(=O)Nc1nnc(S(N)(=O)=O)s1
CACTVS 3.385CCC(=O)Nc1sc(nn1)[S](N)(=O)=O
Name:N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
ChEMBL: CHEMBL1288786
ZINC: ZINC000004217364
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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