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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Ligand | BDBM50244130 | ||
| 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: |
| ||
| BDBM50244130 | |||
| n/a | |||
| Name | BDBM50244130 | ||
| Synonyms: | CHEMBL4097235 | US10533010, Example I-200 | US11208415, Example I-200 | ||
| 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)c1cc(ccn1)C(O)=O |(40.39,-44.88,;38.93,-44.41,;38.45,-42.95,;36.91,-42.95,;36,-41.71,;36.44,-44.42,;34.97,-44.9,;37.69,-45.32,;37.69,-46.87,;36.37,-47.64,;35.03,-46.87,;36.36,-49.18,;37.7,-49.95,;39.03,-49.18,;40.51,-49.66,;40.98,-51.13,;42.49,-51.45,;42.96,-52.91,;44.47,-53.23,;44.95,-54.69,;46.45,-55.01,;46.93,-56.47,;48.43,-56.78,;45.9,-57.62,;46.37,-59.08,;44.39,-57.3,;43.36,-58.44,;43.91,-55.83,;41.42,-48.4,;42.97,-48.47,;43.58,-49.88,;43.99,-47.29,;43.7,-45.76,;42.34,-45.03,;40.91,-45.65,;40.5,-47.15,;39.03,-47.63,;45.48,-47.69,;45.87,-49.18,;47.35,-49.58,;48.44,-48.49,;48.04,-47,;46.56,-46.6,;47.75,-51.07,;49.23,-51.47,;46.65,-52.15,)| | ||
| Structure | 
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