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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Ligand | BDBM50244129 | ||
| 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: |
| ||
| BDBM50244129 | |||
| n/a | |||
| Name | BDBM50244129 | ||
| Synonyms: | CHEMBL4070674 | US10533010, Example I-199 | US11208415, Example I-199 | ||
| 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)c1cncc(c1)C(O)=O |(24.13,-44.36,;22.67,-43.89,;22.19,-42.43,;20.65,-42.43,;19.74,-41.19,;20.17,-43.9,;18.71,-44.38,;21.42,-44.8,;21.43,-46.35,;20.1,-47.12,;18.77,-46.35,;20.1,-48.66,;21.44,-49.43,;22.77,-48.66,;24.24,-49.14,;24.72,-50.61,;26.23,-50.93,;26.7,-52.39,;28.21,-52.71,;28.68,-54.17,;30.18,-54.49,;30.67,-55.95,;32.17,-56.26,;29.63,-57.1,;30.11,-58.56,;28.13,-56.78,;27.1,-57.92,;27.65,-55.32,;25.15,-47.88,;26.71,-47.95,;27.32,-49.36,;27.73,-46.77,;27.44,-45.24,;26.07,-44.51,;24.65,-45.13,;24.24,-46.63,;22.77,-47.11,;29.22,-47.17,;30.29,-46.08,;31.78,-46.48,;32.18,-47.97,;31.09,-49.06,;29.6,-48.66,;31.48,-50.55,;32.97,-50.95,;30.39,-51.63,)| | ||
| Structure | 
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