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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Ligand | BDBM50519044 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1873795 (CHEMBL4375084) | ||
| Ki | 640±n/a nM | ||
| Citation |  Szlávik, Z; Ondi, L; Csékei, M; Paczal, A; Szabó, ZB; Radics, G; Murray, J; Davidson, J; Chen, I; Davis, B; Hubbard, RE; Pedder, C; Dokurno, P; Surgenor, A; Smith, J; Robertson, A; LeToumelin-Braizat, G; Cauquil, N; Zarka, M; Demarles, D; Perron-Sierra, F; Claperon, A; Colland, F; Geneste, O; Kotschy, A Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J Med Chem62:6913-6924 (2019) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Induced myeloid leukemia cell differentiation protein Mcl-1 | |||
| Name: | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Synonyms: | BCL2L3 | Bcl-2-like protein 3 | Bcl-2-like protein 3 (Mcl-1) | Bcl-2-related protein EAT/mcl1 | Bcl2-L-3 | Induced myeloid leukemia cell differentiation protein (Mcl-1) | MCL1 | MCL1_HUMAN | Mcl-1 | Myeloid Cell factor-1 (Mcl-1) | Myeloid cell leukemia sequence 1 (BCL2-related) | mcl1/EAT | ||
| Type: | Membrane; Single-pass membrane protein | ||
| Mol. Mass.: | 37332.87 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q07820 | ||
| Residue: | 350 | ||
| Sequence: |
| ||
| BDBM50519044 | |||
| n/a | |||
| Name | BDBM50519044 | ||
| Synonyms: | CHEMBL4456457 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H21N3O3S | ||
| Mol. Mass. | 443.518 | ||
| SMILES | CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc2[nH]ccc12 |r,wU:10.10,(19.32,-30,;18.55,-28.66,;17.01,-28.66,;16.11,-29.91,;14.64,-29.44,;13.31,-30.21,;11.97,-29.44,;11.97,-27.9,;13.31,-27.13,;13.3,-25.59,;11.97,-24.82,;11.97,-23.28,;10.63,-22.51,;10.64,-20.97,;9.3,-20.21,;7.97,-20.98,;7.98,-22.53,;9.31,-23.29,;10.64,-25.59,;9.3,-24.83,;10.64,-27.13,;14.64,-27.89,;16.11,-27.42,;16.58,-25.95,;15.55,-24.82,;16.02,-23.36,;17.53,-23.03,;18.56,-24.17,;20.1,-24.16,;20.58,-25.62,;19.34,-26.54,;18.09,-25.63,)| | ||
| Structure | 
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