Reaction Details Report a problem with these data
Target
Caspase-5
Ligand
BDBM219
Substrate
Caspase-1 Fluorogenic Substrate Ac-Trp-Glu-His-Asp-AFC
Meas. Tech.
Fluorometric Assay
pH
7.4000±n/a
Temperature
298.1500±n/a K
Ki
98000±n/a nM
Citation
 Choong, IC; Lew, W; Lee, D; Pham, P; Burdett, MT; Lam, JW; Wiesmann, C; Luong, TN; Fahr, B; DeLano, WL; McDowell, RS; Allen, DA; Erlanson, DA; Gordon, EM; O'Brien, T Identification of potent and selective small-molecule inhibitors of caspase-3 through the use of extended tethering and structure-based drug design. J Med Chem 45:5005-22 (2002) [PubMed]  Article 
Target
Name:
Caspase-5
Synonyms:
Caspase-5 subunit p10 | Caspase-5 subunit p20 | ICE(rel)-III | TY protease | ICH-3 protease | Protease ICH-3 | CASP-5 | Caspase 5 | Protease TY | CASP5_HUMAN | CASP5 | ICH3
Type:
Enzyme
Mol. Mass.:
49760.80
Organism:
Human
Description:
P51878
Residue:
434
Sequence:
MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN
  
Inhibitor
Name:
BDBM219
Synonyms:
5-({[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxobutan-2-yl]carbamoyl}thiophen-2-yl)methyl](methyl)amino}methyl)-2-hydroxybenzoic acid | Thiophene Scaffold 47c | Inhibitor 47c
Type:
Small organic molecule
Emp. Form.:
C27H27ClN2O7S2
Mol. Mass.:
590.09
SMILES:
CN(Cc1ccc(s1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl)Cc1ccc(O)c(c1)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Caspase-1 Fluorogenic Substrate Ac-Trp-Glu-His-Asp-AFC
Synonyms:
Caspase-5 Fluorometric Substrate Ac-Trp-Glu-His-Asp-AFC | Caspase-4 Fluorometric Substrate Ac-Trp-Glu-His-Asp-AFC
Type:
Peptide
Mol. Mass.:
584.05
Organism:
n/a
Description:
Molecular Mass of WEHD
Residue:
4
Sequence:
WEHD