Reaction Details | |||
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Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
Ligand | BDBM50244131 | ||
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: |
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BDBM50244131 | |||
n/a | |||
Name | BDBM50244131 | ||
Synonyms: | CHEMBL4075756 | US10533010, Example I-201 | US11208415, Example I-201 | ||
Type | Small organic molecule | ||
Emp. Form. | C35H35Cl2N5O4 | ||
Mol. Mass. | 660.59 | ||
SMILES | Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(cn1)C(O)=O |(73.64,-43.71,;72.18,-43.24,;71.7,-41.77,;70.16,-41.78,;69.25,-40.54,;69.69,-43.24,;68.22,-43.72,;70.93,-44.15,;70.94,-45.69,;69.61,-46.46,;68.28,-45.69,;69.61,-48.01,;70.95,-48.78,;72.28,-48.01,;73.75,-48.49,;74.23,-49.95,;75.74,-50.27,;76.21,-51.74,;77.72,-52.05,;78.2,-53.52,;79.7,-53.83,;80.18,-55.29,;81.68,-55.61,;79.14,-56.44,;79.62,-57.91,;77.64,-56.12,;76.61,-57.27,;77.16,-54.66,;74.66,-47.23,;76.22,-47.29,;76.83,-48.71,;77.24,-46.12,;76.95,-44.59,;75.58,-43.85,;74.16,-44.47,;73.75,-45.98,;72.28,-46.46,;78.73,-46.52,;79.8,-45.43,;81.29,-45.82,;81.69,-47.32,;80.6,-48.4,;79.11,-48,;83.18,-47.72,;84.27,-46.63,;83.58,-49.2,)| | ||
Structure |