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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Ligand | BDBM50244143 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1673169 (CHEMBL4023198) | ||
| Ki | 3.4±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: |
| ||
| BDBM50244143 | |||
| n/a | |||
| Name | BDBM50244143 | ||
| Synonyms: | CHEMBL4064897 | US10533010, Example I-251 | US11208415, Example I-251 | ||
| 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)c1cc(cc2ccn(C)c12)C(O)=O |(50.87,-5.98,;49.4,-5.51,;48.92,-4.04,;47.38,-4.05,;46.48,-2.81,;46.91,-5.52,;45.45,-6,;48.16,-6.42,;48.17,-7.96,;46.84,-8.73,;45.51,-7.96,;46.84,-10.28,;48.17,-11.05,;49.51,-10.28,;50.98,-10.76,;51.46,-12.22,;52.96,-12.54,;53.44,-14.01,;54.95,-14.33,;55.42,-15.79,;56.92,-16.1,;57.4,-17.56,;58.91,-17.88,;56.37,-18.72,;56.85,-20.18,;54.86,-18.39,;53.83,-19.54,;54.39,-16.93,;51.89,-9.5,;53.45,-9.56,;54.06,-10.98,;54.47,-8.39,;54.18,-6.86,;52.81,-6.12,;51.39,-6.74,;50.98,-8.25,;49.51,-8.73,;55.96,-8.79,;57.03,-7.7,;58.52,-8.09,;58.92,-9.59,;57.82,-10.67,;57.9,-12.2,;56.47,-12.75,;55.51,-11.56,;54.01,-11.95,;56.34,-10.27,;59.6,-7,;59.2,-5.52,;61.09,-7.4,)| | ||
| Structure | 
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