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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Ligand | BDBM50519045 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1873795 (CHEMBL4375084) | ||
| Ki | 5700±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: |
| ||
| BDBM50519045 | |||
| n/a | |||
| Name | BDBM50519045 | ||
| Synonyms: | CHEMBL4436725 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H22N4O2S | ||
| Mol. Mass. | 442.533 | ||
| SMILES | CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc2[nH]ccc12 |r,wU:10.10,(36.48,-12.68,;35.71,-11.35,;34.17,-11.35,;33.27,-12.59,;31.8,-12.12,;30.47,-12.9,;29.13,-12.13,;29.13,-10.58,;30.47,-9.81,;30.47,-8.27,;29.13,-7.5,;29.13,-5.96,;27.79,-5.2,;27.8,-3.66,;26.47,-2.89,;25.13,-3.66,;25.14,-5.21,;26.47,-5.97,;27.8,-8.28,;26.46,-7.51,;27.8,-9.82,;31.8,-10.58,;33.27,-10.1,;33.74,-8.63,;32.71,-7.5,;33.18,-6.04,;34.69,-5.71,;35.72,-6.85,;37.26,-6.84,;37.75,-8.31,;36.5,-9.22,;35.25,-8.32,)| | ||
| Structure | 
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