| Reaction Details |
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 | Report a problem with these data |
| Target | Caspase-2 |
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| Ligand | BDBM420298 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2049058 (CHEMBL4703757) |
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| IC50 | >10000±n/a nM |
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| 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 Chem63:12725-12747 (2020) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Caspase-2 |
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| Name: | Caspase-2 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 50688.29 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P42575 |
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| Residue: | 452 |
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| Sequence: | MAAPSAGSWSTFQHKELMAADRGRRILGVCGMHPHHQETLKKNRVVLAKQLLLSELLEHL
LEKDIITLEMRELIQAKVGSFSQNVELLNLLPKRGPQAFDAFCEALRETKQGHLEDMLLT
TLSGLQHVLPPLSCDYDLSLPFPVCESCPLYKKLRLSTDTVEHSLDNKDGPVCLQVKPCT
PEFYQTHFQLAYRLQSRPRGLALVLSNVHFTGEKELEFRSGGDVDHSTLVTLFKLLGYDV
HVLCDQTAQEMQEKLQNFAQLPAHRVTDSCIVALLSHGVEGAIYGVDGKLLQLQEVFQLF
DNANCPSLQNKPKMFFIQACRGDETDRGVDQQDGKNHAGSPGCEESDAGKEKLPKMRLPT
RSDMICGYACLKGTAAMRNTKRGSWYIEALAQVFSERACDMHVADMLVKVNALIKDREGY
APGTEFHRCKEMSEYCSTLCRHLYLFPGHPPT
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| BDBM420298 |
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| n/a |
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| Name | BDBM420298 |
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| Synonyms: | CVD-0006356 | PF-00835231 | PF-0835231 | US11524940, Compound 741 | US11753373, Compound A-5-d | WO2005113580-Ex-02 | WO2021205298, Compound 1 | cmdc.202100576, 6b |
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| Type | Small organic molecule |
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| Emp. Form. | C24H32N4O6 |
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| Mol. Mass. | 472.5341 |
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| 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 |
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| Structure | 
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