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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Ligand | BDBM50581350 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2150562 (CHEMBL5035024) | ||
| Ki | <1.2±n/a nM | ||
| Citation |  Li, Y; Fan, W; Gong, Q; Tian, J; Zhou, M; Li, Q; Uwituze, LB; Zhang, Z; Hong, R; Wang, R Structure-Based Optimization of 3-Phenyl- J Med Chem64:10260-10285 (2021) [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: |
| ||
| BDBM50581350 | |||
| n/a | |||
| Name | BDBM50581350 | ||
| Synonyms: | CHEMBL5079948 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C41H39ClF4N4O6S | ||
| Mol. Mass. | 827.283 | ||
| SMILES | CN1CCN(CCOc2ccc(-c3c(sc4cccc(OC(Cc5ccccc5OCc5ccnn5CC(F)(F)F)C(O)=O)c34)-c3ccc(F)o3)c(C)c2Cl)CC1 |(24.77,-9.63,;23.27,-9.95,;22.79,-11.42,;21.3,-11.74,;20.26,-10.6,;18.75,-10.93,;18.29,-12.39,;16.78,-12.73,;16.32,-14.19,;14.81,-14.53,;14.35,-15.99,;15.38,-17.13,;14.91,-18.59,;15.83,-19.83,;14.93,-21.08,;13.46,-20.61,;12.12,-21.39,;10.78,-20.62,;10.78,-19.08,;12.11,-18.31,;12.11,-16.77,;10.77,-16,;10.77,-14.46,;9.43,-13.7,;8.11,-14.48,;6.77,-13.72,;6.76,-12.17,;8.1,-11.4,;9.43,-12.16,;10.76,-11.39,;10.76,-9.85,;9.43,-9.08,;8.02,-9.71,;6.99,-8.57,;7.76,-7.23,;9.27,-7.55,;10.41,-6.52,;11.87,-6.99,;12.96,-8.08,;11.47,-8.48,;13.02,-5.96,;9.44,-16.78,;8.1,-16.01,;9.44,-18.32,;13.45,-19.07,;17.37,-19.82,;18.27,-18.57,;19.73,-19.03,;19.74,-20.57,;21,-21.47,;18.28,-21.06,;16.89,-16.8,;17.92,-17.94,;17.36,-15.33,;18.86,-15.01,;20.72,-9.14,;22.23,-8.81,)| | ||
| Structure | 
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