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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Ligand | BDBM50244174 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1673167 (CHEMBL4023196) | ||
| Ki | 3.8±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: |
| ||
| BDBM50244174 | |||
| n/a | |||
| Name | BDBM50244174 | ||
| Synonyms: | CHEMBL4087084 | US10533010, Example I-87 | US11208415, Example I-87 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C37H38Cl2N4O4 | ||
| Mol. Mass. | 673.628 | ||
| SMILES | Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(cc4)C(O)=O)CCCn3c12 |(70.5,-25.21,;69.03,-24.74,;68.55,-23.28,;67.01,-23.28,;66.11,-22.04,;66.54,-24.75,;65.08,-25.23,;67.79,-25.65,;67.8,-27.2,;66.47,-27.97,;65.14,-27.2,;66.47,-29.51,;67.8,-30.28,;69.14,-29.51,;70.61,-29.99,;71.09,-31.46,;72.59,-31.78,;73.07,-33.24,;74.58,-33.56,;75.05,-35.02,;76.55,-35.34,;77.03,-36.8,;78.54,-37.11,;76,-37.95,;76.48,-39.41,;74.49,-37.63,;73.46,-38.77,;74.02,-36.17,;71.52,-28.73,;73.08,-28.8,;73.69,-30.21,;74.1,-27.62,;75.58,-28.02,;76.68,-26.93,;78.16,-27.34,;79.25,-26.25,;78.86,-24.76,;77.36,-24.36,;76.28,-25.45,;79.95,-23.67,;79.55,-22.19,;81.43,-24.07,;73.81,-26.09,;72.44,-25.36,;71.02,-25.98,;70.61,-27.48,;69.14,-27.96,)| | ||
| Structure | 
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