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BioLiP

PDB CCD ID: TE3
Number of entries in BioLiP: 4
Chemical formula: C10 H16 N4 O3 S2
InChI: InChI=1S/C10H16N4O3S2/c11-19(16,17)10-14-13-9(18-10)12-8(15)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,16,17)(H,12,13,15)
InChIKey: JUBREXAVHBVMRO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CCC(CC1)CC(=O)Nc2nnc(s2)S(=O)(=O)N
ACDLabs 12.01O=S(N)(=O)c1nnc(NC(=O)CC2CCCCC2)s1
CACTVS 3.385N[S](=O)(=O)c1sc(NC(=O)CC2CCCCC2)nn1
Name:2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
ChEMBL: CHEMBL4750765
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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