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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Ligand | BDBM50244169 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1673166 (CHEMBL4023195) | ||
| Ki | 2.4±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: |
| ||
| BDBM50244169 | |||
| n/a | |||
| Name | BDBM50244169 | ||
| Synonyms: | CHEMBL4091647 | US11596639, Example 55 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C39H39Cl2N5O4 | ||
| Mol. Mass. | 712.664 | ||
| SMILES | Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(C(O)=O)c2ccn(C)c12 |(7.76,-23.42,;6.29,-22.95,;5.81,-21.48,;4.27,-21.49,;3.36,-20.24,;3.8,-22.95,;2.34,-23.43,;5.05,-23.85,;5.06,-25.4,;3.73,-26.17,;2.4,-25.4,;3.73,-27.72,;5.06,-28.49,;6.4,-27.72,;7.87,-28.2,;8.35,-29.66,;9.85,-29.98,;10.33,-31.44,;11.84,-31.76,;12.31,-33.23,;13.81,-33.54,;14.29,-35,;15.8,-35.31,;13.26,-36.15,;13.74,-37.62,;11.75,-35.83,;10.72,-36.98,;11.28,-34.37,;8.78,-26.94,;10.34,-27,;10.95,-28.42,;11.36,-25.82,;11.07,-24.29,;9.7,-23.56,;8.28,-24.18,;7.87,-25.69,;6.39,-26.16,;12.84,-26.23,;13.92,-25.14,;15.41,-25.53,;15.81,-27.03,;17.3,-27.43,;18.39,-26.34,;17.69,-28.91,;14.71,-28.11,;14.79,-29.64,;13.36,-30.19,;12.39,-29,;10.9,-29.39,;13.23,-27.71,)| | ||
| Structure | 
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