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Target
Caspase-2
Ligand
BDBM420298
Substrate
n/a
Meas. Tech.
ChEMBL_2049058 (CHEMBL4703757)
IC50
>10000±n/a nM
Citation
 Hoffman, RL; Kania, RS; Brothers, MA; Davies, JF; Ferre, RA; Gajiwala, KS; He, M; Hogan, RJ; Kozminski, K; Li, LY; Lockner, JW; Lou, J; Marra, MT; Mitchell, LJ; Murray, BW; Nieman, JA; Noell, S; Planken, SP; Rowe, T; Ryan, K; Smith, GJ; Solowiej, JE; Steppan, CM; Taggart, B Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J Med Chem 63:12725-12747 (2020) [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:
BDBM420298
Synonyms:
CVD-0006356 | PF-00835231 | PF-0835231 | US11524940, Compound 741 | US11753373, Compound A-5-d | WO2005113580-Ex-02 | WO2021205298, Compound 1 | cmdc.202100576, 6b
Type:
Small organic molecule
Emp. Form.:
C24H32N4O6
Mol. Mass.:
472.5341
SMILES:
COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Structure:
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