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Target
Caspase-2
Ligand
BDBM50355110
Substrate
n/a
Meas. Tech.
ChEMBL_773169 (CHEMBL1838645)
IC50
1690±n/a nM
Citation
 Maillard, MC; Brookfield, FA; Courtney, SM; Eustache, FM; Gemkow, MJ; Handel, RK; Johnson, LC; Johnson, PD; Kerry, MA; Krieger, F; Meniconi, M; Muñoz-Sanjuán, I; Palfrey, JJ; Park, H; Schaertl, S; Taylor, MG; Weddell, D; Dominguez, C Exploiting differences in caspase-2 and -3 S2 subsites for selectivity: structure-based design, solid-phase synthesis and in vitro activity of novel substrate-based caspase-2 inhibitors. Bioorg Med Chem 19:5833-51 (2011) [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:
BDBM50355110
Synonyms:
CHEMBL1835208
Type:
Small organic molecule
Emp. Form.:
C27H45N5O11
Mol. Mass.:
615.6731
SMILES:
CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@H]1CC(=O)OC1O |r|
Structure:
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