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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Ligand | BDBM50519040 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1873795 (CHEMBL4375084) | ||
| Ki | 46±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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| BDBM50519040 | |||
| n/a | |||
| Name | BDBM50519040 | ||
| Synonyms: | CHEMBL4537357 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C29H31ClN4O4S | ||
| Mol. Mass. | 567.099 | ||
| SMILES | CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cc(N2CCN(C)CC2)c(O)c(Cl)c1C |r,wU:10.10,(62.82,-50.77,;62.05,-49.44,;60.51,-49.44,;59.61,-50.69,;58.14,-50.21,;56.81,-50.99,;55.47,-50.22,;55.47,-48.68,;56.81,-47.91,;56.8,-46.37,;55.47,-45.6,;55.47,-44.06,;54.13,-43.29,;54.14,-41.75,;52.8,-40.98,;51.47,-41.76,;51.48,-43.3,;52.81,-44.06,;54.14,-46.37,;52.8,-45.6,;54.14,-47.91,;58.14,-48.67,;59.61,-48.19,;60.08,-46.73,;59.05,-45.6,;59.52,-44.13,;58.48,-42.99,;58.96,-41.53,;57.93,-40.39,;56.42,-40.71,;55.39,-39.57,;55.95,-42.18,;56.98,-43.33,;61.03,-43.81,;61.5,-42.34,;62.06,-44.94,;63.57,-44.62,;61.59,-46.41,;62.62,-47.56,)| | ||
| Structure | 
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