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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Ligand | BDBM50519041 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1873795 (CHEMBL4375084) | ||
| Ki | 19000±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: |
| ||
| BDBM50519041 | |||
| n/a | |||
| Name | BDBM50519041 | ||
| Synonyms: | CHEMBL4464302 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H22ClN3O2S | ||
| Mol. Mass. | 463.979 | ||
| SMILES | CC(=C)c1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:11.11,(62.48,-29.38,;61.71,-30.71,;62.48,-32.05,;60.17,-30.71,;59.28,-31.96,;57.81,-31.49,;56.48,-32.27,;55.13,-31.5,;55.14,-29.95,;56.47,-29.18,;56.47,-27.64,;55.13,-26.87,;55.13,-25.33,;53.8,-24.56,;53.8,-23.02,;52.47,-22.26,;51.14,-23.03,;51.14,-24.58,;52.48,-25.34,;53.8,-27.64,;52.47,-26.88,;53.8,-29.18,;57.81,-29.94,;59.27,-29.47,;59.74,-28,;58.71,-26.87,;59.18,-25.41,;60.69,-25.08,;61.73,-26.22,;63.23,-25.89,;61.26,-27.69,;62.29,-28.83,)| | ||
| Structure | 
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