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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Ligand | BDBM50244128 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1673166 (CHEMBL4023195) | ||
| Ki | 1.1±n/a nM | ||
| Citation |  Shaw, S; Bian, Z; Zhao, B; Tarr, JC; Veerasamy, N; Jeon, KO; Belmar, J; Arnold, AL; Fogarty, SA; Perry, E; Sensintaffar, JL; Camper, DV; Rossanese, OW; Lee, T; Olejniczak, ET; Fesik, SW Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design. J Med Chem61:2410-2421 (2018) [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: |
| ||
| BDBM50244128 | |||
| n/a | |||
| Name | BDBM50244128 | ||
| Synonyms: | CHEMBL4067325 | US11596639, Example 43 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C36H37Cl2N5O4 | ||
| Mol. Mass. | 674.616 | ||
| SMILES | Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(ccn4)C(O)=O)CCCn3c12 |(49.46,-24.69,;48,-24.22,;47.52,-22.76,;45.98,-22.76,;45.07,-21.52,;45.5,-24.23,;44.04,-24.71,;46.75,-25.13,;46.76,-26.68,;45.43,-27.45,;44.1,-26.68,;45.43,-28.99,;46.76,-29.76,;48.1,-28.99,;49.57,-29.47,;50.05,-30.93,;51.55,-31.25,;52.03,-32.72,;53.54,-33.04,;54.01,-34.5,;55.51,-34.81,;55.99,-36.27,;57.5,-36.59,;54.96,-37.43,;55.44,-38.89,;53.45,-37.11,;52.42,-38.25,;52.98,-35.64,;50.48,-28.21,;52.04,-28.28,;52.65,-29.69,;53.06,-27.1,;54.55,-27.5,;55.64,-26.41,;57.12,-26.82,;58.21,-25.73,;57.82,-24.24,;56.32,-23.84,;55.24,-24.93,;59.7,-26.13,;60.79,-25.05,;60.1,-27.62,;52.77,-25.57,;51.4,-24.83,;49.98,-25.46,;49.57,-26.96,;48.1,-27.44,)| | ||
| Structure | 
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