Ligand
Ligand Name:   CAS329306
Ligand Type:   non-polymer
Ligand ID:   COVPDB1396 PubChem:   439647
Synonym(s):  
  •   tpck
  • 402-71-1
  • n-tosyl-l-phenylalanyl chloromethyl ketone
  • tosylphenylalanyl chloromethyl ketone
  • tos-phe-ch2cl
  • n-tosyl-l-phenylalanine chloromethyl ketone
  • n-p-tosyl-l-phenylalanine chloromethyl ketone
  • l-1-tosylamido-2-phenylethyl chloromethyl ketone
  • l-n-(alpha-(chloroacetyl)phenethyl)-p-toluenesulfonamide
  • (s)-n-(4-chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzenesulfonamide
  • n-[(2s)-4-chloro-3-oxo-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide
  • benzenesulfonamide,n-[(1s)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-
  • chembl60718
  • unii-p598716ljt
  • mls000028752
  • chebi:9642
  • p598716ljt
  • smr000058518
  • p-toluenesulfonamide, n-(alpha-(chloroacetyl)phenethyl)-, (-)-
  • benzenesulfonamide, n-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-4-methyl-, (s)-
  • n-(p-toluenesulfonyl)-l-phenylalanine chloromethyl ketone
  • l-1-4'-tosylamino-2-phenylethyl chloromethyl ketone, 99+%
  • benzenesulfonamide, n-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-, (s)-
  • einecs 206-954-6
  • tosylphenylalanyl chloromethyl ketone, (l)-
  • brn 2895215
  • l-chloromethyl (2-phenyl-1-(p-toluenesulphonylamino)ethyl) ketone
  • opera_id_1094
  • lopac-t-4376
  • tosyl-phe-cmk (tpck)
  • tosylphenylalanylchloromethane
  • lopac0_001157
  • bspbio_001541
  • kbiogr_000261
  • kbioss_000261
  • l-1-p-tosylamino-2-phenylethyl chloromethyl ketone
  • mls001076075
  • mls006010721
  • schembl927265
  • cid_439647
  • tosyl-l-phenylalanylchloromethane
  • kbio2_000261
  • kbio2_002829
  • kbio2_005397
  • kbio3_000521
  • kbio3_000522
  • brd5988
  • dtxsid60883376
  • benzenesulfonamide, n-((1s)-3-chloro-2-oxo-1-(phenylmethyl)propyl)-4-methyl-
  • bio2_000261
  • bio2_000741
  • hms1361n03
  • hms1791n03
  • hms1989n03
  • hms3263h15
  • hms3402n03
  • zinc901254
  • brd-5988
  • tox21_501157
  • 7793ah
  • bdbm50085363
  • mfcd00000935
  • nsc727365
  • pi-122
  • ccg-205231
  • lp01157
  • nsc-727365
  • sdccgsbi-0051124.p003
  • idi1_034011
  • ncgc00016020-01
  • ncgc00094419-01
  • ncgc00094419-02
  • ncgc00094419-03
  • ncgc00094419-04
  • ncgc00094419-05
  • ncgc00094419-06
  • ncgc00094419-07
  • ncgc00261842-01
  • as-35326
  • p-tosyl-l-phenylalanine chloromethylketone
  • eu-0101157
  • n-p-tosyl-l-phenylalanyl chloromethyl ketone
  • c02088
  • k-8605
  • l-1-tosylamido-2-phenylethylchloromethyl ketone
  • t 4376
  • sr-01000076157
  • q7827912
  • sr-01000076157-1
  • brd-k07055988-001-02-4
  • l-n-(.alpha.-(chloroacetyl)phenethyl)-p-toluenesulfonamide
  • (3s)-3-(p-toluenesulfonyl)amino-1-chloro-4-phenyl-2-butanone
  • (s)-n-(4-chloro-3-oxo-1-phenyl-2-butyl)-p-toluenesulfonamide
  • l-([toluene-4-sulfonamido]-2-phenyl)ethyl chloromethyl ketone
  • p-toluenesulfonamide, n-(.alpha.-(chloroacetyl)phenethyl)-, (-)-
  • n-[(1s)-1-benzyl-3-chloro-2-oxo-propyl]-4-methyl-benzenesulfonamide
  • n-p-tosyl-l-phenylalanine chloromethyl ketone, >=97% (tlc), powder
show 96 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL60718
Canonical SMILES:   Cc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)CCl)Cc2ccccc2
Standard InChI:   InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1
Molecular Formula:   C17H18ClNO3S Mol. Weight:   351.06958 logP:   2.69252
HBD:   1 HBA:   3
#Rotatable Bonds:   7 TPSA:   63.24

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Caspase-3 P42574 (CASP3_HUMAN) Homo sapiens (Human) 2XYG TQ8
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