Ligand
Ligand Name:   PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE
Ligand Type:   non-polymer
Ligand ID:   COVPDB1474 PubChem:   99625
Synonym(s):  
  •   26049-94-5
  • z-l-phe chloromethyl ketone
  • zpck
  • sl-01
  • l-carbobenzyloxyphenylalanyl chloromethyl ketone
  • nsc 251810
  • chembl303579
  • benzyl n-[(2s)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate
  • n-carbobenzoxy-l-phenylalanyl-chloromethyl ketone
  • (s)-benzyl [1-benzyl-3-chloro-2-oxopropyl]carbamate
  • benzyl ((1s)-3-chloro-2-oxo-1-benzylpropyl)carbamate
  • (s)-benzyl (4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate
  • carbamic acid, n-[(1s)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester
  • 1-benzyloxycarbonylaminophenethyl chloromethyl ketone
  • carbamic acid, [(1s)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester
  • z-phe-cmk
  • n(alpha)-benzyloxycarbonylphenylalanylchloromethane
  • (s)-benzyl (1-benzyl-3-chloro-2-oxopropyl)carbamate
  • n-((benzyloxy)carbonyl)-l-phenylalanine chloromethyl ketone
  • carbamic acid, ((1s)-3-chloro-2-oxo-1-(phenylmethyl)propyl)-, phenylmethyl ester
  • carbamic acid, n-((1s)-3-chloro-2-oxo-1-(phenylmethyl)propyl)-, phenylmethyl ester
  • einecs 247-432-8
  • z-phe-ch2cl
  • pubchem11552
  • n(.alpha.)-benzyloxycarbonylphenylalanylchloromethane
  • spectrum2_001493
  • spectrum3_001809
  • lopac-c-9511
  • n-(benzyloxycarbonyl)-l-phenylalanine chloromethyl ketone
  • lopac0_000290
  • bspbio_003397
  • l-(.alpha.-(chloroacetyl)phenethyl)carbamic acid, benzyl ester
  • mls002153274
  • spbio_001505
  • schembl4980616
  • kbio3_002900
  • dtxsid90885328
  • hms2235o11
  • hms3260j22
  • l-(alpha-(chloroacetyl)phenethyl)carbamic acid, benzyl ester
  • z-l-phe chloromethyl ketone, 98%
  • zinc1583409
  • tox21_500290
  • bdbm50085339
  • ccg-39201
  • mfcd00037114
  • akos015888878
  • lp00290
  • sdccgsbi-0050278.p002
  • carbamic acid, [3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester, (s)-
  • ncgc00015284-01
  • ncgc00093742-01
  • ncgc00093742-02
  • ncgc00093742-03
  • ncgc00093742-04
  • ncgc00093742-05
  • ncgc00260975-01
  • as-35328
  • smr001230710
  • benzyloxycarbonyl-phenylalanyl chloromethane
  • eu-0100290
  • z5790
  • c 9511
  • k-6751
  • benzyloxycarbonylphenylalanine chloromethyl ketone
  • sr-01000075792
  • 1-benzyloxycarbonylaminophenethyl chloromethyl ketone
  • sr-01000075792-1
  • [n-(benzyloxycarbonyl)-l-phenylalanyl]methyl chloride
  • n-alpha-carbobenzoxy-l-phenylalanine chloromethylketone
  • q27467643
  • (3s)-3-benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone
  • benzyl n-[(1s)-1-benzyl-3-chloro-2-oxo-propyl]carbamate
  • n-carbobenzyloxy-l-phenylalanyl chloromethyl ketone; zpck
  • ((s)-1-benzyl-3-chloro-2-oxo-propyl)-carbamic acid benzyl ester
  • carbamic acid, (.alpha.-(chloroacetyl)phenethyl)-, benzyl ester, l-
  • carbamic acid, (3-chloro-2-oxo-1-(phenylmethyl)propyl)-, phenylmethyl ester, (s)- (9ci)
  • carbamic acid,n-[(1s)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-,phenylmethyl ester
show 77 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL303579
Canonical SMILES:   c1ccccc1C[C@@H](C(=O)CCl)NC(=O)OCc2ccccc2
Standard InChI:   InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
Molecular Formula:   C18H18ClNO3 Mol. Weight:   331.09753 logP:   3.332
HBD:   1 HBA:   3
#Rotatable Bonds:   7 TPSA:   55.4

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) 2XYP XVE
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