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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Ligand | BDBM50519013 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1873842 (CHEMBL4375131) | ||
| Kd | 360±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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| BDBM50519013 | |||
| n/a | |||
| Name | BDBM50519013 | ||
| Synonyms: | CHEMBL4452383 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C31H36ClN5O3S | ||
| Mol. Mass. | 594.167 | ||
| SMILES | CCc1sc2ncnc(N[C@H](Cc3ccccc3OCCN3CCN(C)CC3)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:10.10,(40.8,-50.74,;40.03,-49.41,;38.49,-49.41,;37.59,-50.66,;36.12,-50.18,;34.79,-50.96,;33.45,-50.19,;33.45,-48.64,;34.79,-47.87,;34.79,-46.33,;33.45,-45.57,;33.45,-44.03,;32.11,-43.26,;30.79,-44.03,;29.46,-43.27,;29.45,-41.72,;30.79,-40.95,;32.12,-41.72,;33.45,-40.95,;33.46,-39.41,;34.79,-38.64,;36.12,-39.41,;36.11,-40.95,;37.44,-41.72,;38.78,-40.96,;40.11,-41.73,;38.78,-39.41,;37.45,-38.63,;32.12,-46.34,;30.78,-45.57,;32.12,-47.88,;36.12,-48.64,;37.59,-48.16,;38.06,-46.7,;37.03,-45.56,;37.5,-44.1,;39.01,-43.77,;40.04,-44.91,;41.55,-44.59,;39.57,-46.38,;40.6,-47.52,)| | ||
| Structure | 
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