Reaction Details | |||
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Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
Ligand | BDBM50244152 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1673166 (CHEMBL4023195) | ||
Ki | <1.000000±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: |
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BDBM50244152 | |||
n/a | |||
Name | BDBM50244152 | ||
Synonyms: | CHEMBL4061061 | US11596639, Example 74 | ||
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)c1cn(C)c2c(cccc12)C(O)=O |(9.09,-43.19,;7.62,-42.72,;7.14,-41.25,;5.6,-41.26,;4.69,-40.01,;5.13,-42.72,;3.67,-43.2,;6.38,-43.63,;6.39,-45.17,;5.06,-45.94,;3.73,-45.17,;5.06,-47.49,;6.39,-48.26,;7.73,-47.49,;9.2,-47.97,;9.68,-49.43,;11.18,-49.75,;11.66,-51.21,;13.17,-51.53,;13.64,-53,;15.14,-53.31,;15.62,-54.77,;17.13,-55.08,;14.59,-55.92,;15.07,-57.39,;13.08,-55.6,;12.05,-56.75,;12.61,-54.14,;10.11,-46.71,;11.67,-46.77,;12.28,-48.19,;12.69,-45.6,;12.4,-44.07,;11.03,-43.33,;9.61,-43.95,;9.2,-45.46,;7.72,-45.94,;14.17,-46,;15.38,-45.02,;16.67,-45.86,;18.11,-45.31,;16.27,-47.35,;17.1,-48.63,;16.41,-50,;14.87,-50.08,;14.03,-48.79,;14.73,-47.43,;18.64,-48.55,;19.33,-47.18,;19.48,-49.84,)| | ||
Structure |