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BioLiP

PDB CCD ID: VGV
Number of entries in BioLiP: 6
Chemical formula: C9 H14 N4 O3 S2
InChI: InChI=1S/C9H14N4O3S2/c10-18(15,16)9-13-12-8(17-9)11-7(14)6-4-2-1-3-5-6/h6H,1-5H2,(H2,10,15,16)(H,11,12,14)
InChIKey: JZWSZGVTKNYBGX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1sc(NC(=O)C2CCCCC2)nn1
ACDLabs 12.01C2CC(C(=O)Nc1nnc(S(N)(=O)=O)s1)CCC2
OpenEye OEToolkits 2.0.7C1CCC(CC1)C(=O)Nc2nnc(s2)S(=O)(=O)N
Name:N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
ChEMBL: CHEMBL4739913
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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