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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Ligand | BDBM50519039 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1873795 (CHEMBL4375084) | ||
| Ki | 32±n/a nM | ||
| Citation |  Szlávik, Z; Ondi, L; Csékei, M; Paczal, A; Szabó, ZB; Radics, G; Murray, J; Davidson, J; Chen, I; Davis, B; Hubbard, RE; Pedder, C; Dokurno, P; Surgenor, A; Smith, J; Robertson, A; LeToumelin-Braizat, G; Cauquil, N; Zarka, M; Demarles, D; Perron-Sierra, F; Claperon, A; Colland, F; Geneste, O; Kotschy, A Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J Med Chem62:6913-6924 (2019) [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: |
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| BDBM50519039 | |||
| n/a | |||
| Name | BDBM50519039 | ||
| Synonyms: | CHEMBL4450734 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C30H33ClN4O4S | ||
| Mol. Mass. | 581.125 | ||
| SMILES | CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cc(CN2CCN(C)CC2)c(O)c(Cl)c1C |r,wU:10.10,(17.24,-17.95,;16.47,-16.62,;14.93,-16.62,;14.03,-17.87,;12.57,-17.39,;11.23,-18.17,;9.89,-17.4,;9.89,-15.85,;11.23,-15.08,;11.23,-13.54,;9.89,-12.78,;9.89,-11.24,;8.56,-10.47,;8.56,-8.93,;7.23,-8.16,;5.89,-8.93,;5.9,-10.48,;7.24,-11.24,;8.56,-13.55,;7.23,-12.78,;8.56,-15.09,;12.57,-15.85,;14.03,-15.37,;14.5,-13.91,;13.47,-12.77,;13.94,-11.31,;12.91,-10.17,;13.38,-8.7,;14.89,-8.38,;15.36,-6.92,;14.33,-5.78,;14.81,-4.31,;12.83,-6.1,;12.35,-7.57,;15.45,-10.98,;15.92,-9.52,;16.48,-12.12,;17.99,-11.8,;16.01,-13.59,;17.05,-14.73,)| | ||
| Structure | 
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