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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Ligand | BDBM50244173 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1673166 (CHEMBL4023195) | ||
| Ki | 2.9±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: |
| ||
| BDBM50244173 | |||
| n/a | |||
| Name | BDBM50244173 | ||
| Synonyms: | CHEMBL4064491 | US10533010, Example I-103 | US11208415, Example I-103 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C35H36Cl2N4O5 | ||
| Mol. Mass. | 663.59 | ||
| SMILES | Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(o4)C(O)=O)CCCn3c12 |(9.86,-24.76,;8.39,-24.29,;7.91,-22.83,;6.37,-22.83,;5.46,-21.59,;5.9,-24.3,;4.44,-24.78,;7.15,-25.2,;7.16,-26.75,;5.83,-27.52,;4.5,-26.75,;5.83,-29.06,;7.16,-29.83,;8.5,-29.06,;9.97,-29.54,;10.45,-31,;11.95,-31.32,;12.43,-32.79,;13.94,-33.11,;14.41,-34.57,;15.91,-34.89,;16.39,-36.34,;17.9,-36.66,;15.36,-37.5,;15.84,-38.96,;13.85,-37.18,;12.82,-38.32,;13.38,-35.71,;10.88,-28.28,;12.44,-28.35,;13.05,-29.76,;13.46,-27.17,;14.94,-27.57,;16.03,-26.48,;15.79,-24.96,;17.16,-24.26,;18.25,-25.35,;17.55,-26.73,;19.77,-25.12,;20.33,-23.68,;20.74,-26.31,;13.17,-25.64,;11.8,-24.91,;10.38,-25.53,;9.97,-27.03,;8.49,-27.51,)| | ||
| Structure | 
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