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Target
Caspase-2
Ligand
BDBM50200932
Substrate
n/a
Meas. Tech.
ChEMBL_423898 (CHEMBL913572)
Ki
29000±n/a nM
Citation
 Henzing, AJ; Dodson, H; Reid, JM; Kaufmann, SH; Baxter, RL; Earnshaw, WC Synthesis of novel caspase inhibitors for characterization of the active caspase proteome in vitro and in vivo. J Med Chem 49:7636-45 (2006) [PubMed]  Article 
Target
Name:
Caspase-2
Synonyms:
CASP-2 | CASP2 | CASP2_HUMAN | Caspase-2 subunit p12 | Caspase-2 subunit p13 | Caspase-2 subunit p18 | ICH-1 protease | ICH-1L/1S | ICH1 | NEDD-2 | NEDD2 | Neural precursor cell expressed developmentally down-regulated protein 2
Type:
Enzyme
Mol. Mass.:
50688.29
Organism:
Homo sapiens (Human)
Description:
P42575
Residue:
452
Sequence:
MAAPSAGSWSTFQHKELMAADRGRRILGVCGMHPHHQETLKKNRVVLAKQLLLSELLEHLLEKDIITLEMRELIQAKVGSFSQNVELLNLLPKRGPQAFDAFCEALRETKQGHLEDMLLTTLSGLQHVLPPLSCDYDLSLPFPVCESCPLYKKLRLSTDTVEHSLDNKDGPVCLQVKPCTPEFYQTHFQLAYRLQSRPRGLALVLSNVHFTGEKELEFRSGGDVDHSTLVTLFKLLGYDVHVLCDQTAQEMQEKLQNFAQLPAHRVTDSCIVALLSHGVEGAIYGVDGKLLQLQEVFQLFDNANCPSLQNKPKMFFIQACRGDETDRGVDQQDGKNHAGSPGCEESDAGKEKLPKMRLPTRSDMICGYACLKGTAAMRNTKRGSWYIEALAQVFSERACDMHVADMLVKVNALIKDREGYAPGTEFHRCKEMSEYCSTLCRHLYLFPGHPPT
  
Inhibitor
Name:
BDBM50200932
Synonyms:
(3S)-3-[(2S)-6-(6-{5-[(3aS,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamido}hexanamido)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-carboxybutanamido]hexanamido]-5-[(2,6-dimethylphenyl)carbonyloxy]-4-oxopentanoic acid | CHEMBL221870
Type:
Small organic molecule
Emp. Form.:
C49H67N7O14S
Mol. Mass.:
1010.16
SMILES:
Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 |r|
Structure:
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