Ligand
Ligand Name:   N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide
Ligand Type:   peptide-like
Ligand ID:   COVPDB638 PubChem:   5497171
Synonym(s):  
  •   caspase inhibitor vi
  • 161401-82-7
  • z-vad(oh)-fmk
  • z-val-ala-asp-ch2f
  • z-val-ala-asp fluoromethyl ketone
  • benzyloxycarbonyl-val-ala-asp-fluoromethylketone
  • z-vad-fmk, non-methylated
  • z-val-ala-asp fluoromethylketone
  • z-val-ala-asp-fluoromethyl ketone
  • z-val-ala-asp-fluoromethyl-ketone
  • (5s,8s,11s)-11-(2-fluoroacetyl)-5-isopropyl-8-methyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazatridecan-13-oic acid
  • l-alaninamide, n-[(phenylmethoxy)carbonyl]-l-valyl-n-[(1s)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-
  • benzyloxycarbonyl-val-ala-asp fluoromethylketone
  • benzyloxycarbonyl-val-ala-asp fluoromethyl ketone
  • benzyloxycarbonyl-val-ala-asp-fluoromethyl ketone
  • benzyloxycarbonyl-val-ala-asp-fluoromethyl-ketone
  • n-benzyloxycarbonyl-val-ala-asp-fluoromethylketone
  • n-benzyloxycarbonyl-val-ala-asp fluoromethyl ketone
  • n-benzyloxycarbonyl-val-ala-asp-fluoromethyl ketone
  • n-benzyloxycarbonyl-val-ala-asp-fluoromethyl-ketone
  • (3s)-5-fluoro-3-[[(2s)-2-[[(2s)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxopentanoic acid
  • insolution™ caspase inhibitor vi
  • carbobenzyloxy-val-ala-asp-alpha-fluoromethylketone
  • chembl205821
  • schembl17494194
  • dtxsid20420584
  • benzyloxycarbonyl-val-ala-asp-ch2f
  • cbz-val-ala-asp-fluoromethyl ketone
  • hy-16658b
  • s8102
  • zinc25668028
  • ccg-269266
  • db07744
  • sb19182
  • cs-0015633
  • z-vad(oh)-fmk (caspase inhibitor vi).cd
  • a16340
  • n-benzyloxycarbonyl-val-ala-asp fluoromethylketone
  • z-val-ala-asp fluoromethyl ketone, powder, >=90% (tlc)
  • n-[(benzyloxy)carbonyl]-l-valyl-n-[(2s)-1-carboxy-4-fluoro-3-oxo-2-butanyl]-l-alaninamide
  • l-alaninamide, n-[(phenylmethoxy)carbonyl]-l-valyl-n-[(1s)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]- (9ci)
  • l-alaninamide, n-[(phenylmethoxy)carbonyl]-l-valyl-n-[1-(carboxymethyl)-3-fluoro-2-oxopropyl]-, (s)-
show 41 synonym(s)
DrugBank:   DB07744 ChEMBL:   CHEMBL205821
Canonical SMILES:   CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CF
Standard InChI:   InChI=1S/C21H28FN3O7/c1-12(2)18(25-21(31)32-11-14-7-5-4-6-8-14)20(30)23-13(3)19(29)24-15(9-17(27)28)16(26)10-22/h4-8,12-13,15,18H,9-11H2,1-3H3,(H,23,30)(H,24,29)(H,25,31)(H,27,28)/t13-,15-,18-/m0/s1
Molecular Formula:   C21H28FN3O7 Mol. Weight:   453.19113 logP:   0.9402
HBD:   4 HBA:   6
#Rotatable Bonds:   12 TPSA:   150.9

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Agglutinin Q8X123 (Q8X123_9AGAR) Marasmius oreades 5D63 CF0
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