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BioLiP

PDB CCD ID: VFJ
Number of entries in BioLiP: 4
Chemical formula: C6 H10 N4 O3 S2
InChI: InChI=1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11)
InChIKey: HZIYHIRJHYIRQO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCC(=O)Nc1nnc(s1)S(=O)(=O)N
CACTVS 3.385CCCC(=O)Nc1sc(nn1)[S](N)(=O)=O
ACDLabs 12.01C(C)CC(=O)Nc1nnc(S(N)(=O)=O)s1
Name:N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
ChEMBL: CHEMBL1288787
ZINC: ZINC000032150186
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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