TCK/PRD_000459

Tosyl-L-lysine chloromethyl ketone

Created: 1999-07-08
Last modified:  2024-09-27

TCK/PRD_000459 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4PAD.

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count1
Bond Count42
Aromatic Bond Count6
2D diagram of TCK
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Chemical Component Summary

NameTosyl-L-lysine chloromethyl ketone
SynonymsTos-Lys-CH2Cl
Systematic Name (OpenEye OEToolkits)N-[(3S)-7-azanyl-1-chloro-2-oxo-heptan-3-yl]-4-methyl-benzenesulfonamide
FormulaC14 H21 Cl N2 O3 S
Molecular Weight332.846
TypePEPTIDE-LIKE

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=S(=O)(NC(C(=O)CCl)CCCCN)c1ccc(cc1)C
SMILESCACTVS3.370Cc1ccc(cc1)[S](=O)(=O)N[CH](CCCCN)C(=O)CCl
SMILESOpenEye OEToolkits1.7.0Cc1ccc(cc1)S(=O)(=O)NC(CCCCN)C(=O)CCl
Canonical SMILESCACTVS3.370 Cc1ccc(cc1)[S](=O)(=O)N[C@@H](CCCCN)C(=O)CCl
Canonical SMILESOpenEye OEToolkits1.7.0 Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl
InChIInChI1.03 InChI=1S/C14H21ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13,17H,2-4,9-10,16H2,1H3/t13-/m0/s1
InChIKeyInChI1.03 RDFCSSHDJSZMTQ-ZDUSSCGKSA-N

Drug Info: DrugBank

DrugBank IDDB08603 
NameN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide
Groups experimental
SynonymsN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide

Drug Targets

NameTarget SequencePharmacological ActionActions
Protease 1MKRICGSLLLLGLSISAALAAPASRPAAFDYANLSSVDKVALRTMPAVDV...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 73094
ChEMBL CHEMBL466465
ChEBI CHEBI:9640