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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Ligand | BDBM451104 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Exemplary MCL-1 Inhibitors Bind MCL-1 | ||
| Ki | 0.006±n/a nM | ||
| Citation |  Judd, AS; Kunzer, AR; Lai, C; Souers, AJ; Tao, Z; Mastracchio, A; Wang, X; Ji, C; Wendt, MD; Song, X; Doherty, GA; Penning, TD Macrocyclic MCL-1 inhibitors and methods of use US Patent US10676485 Publication Date 6/9/2020 | ||
| 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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| BDBM451104 | |||
| n/a | |||
| Name | BDBM451104 | ||
| Synonyms: | US10676485, Example 14 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C52H55Cl2FN6O9S | ||
| Mol. Mass. | 1029.997 | ||
| SMILES | CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OCC4COCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r,wU:36.72,6.5,21.21,wD:24.28,(14.66,6.11,;13.17,5.71,;12.77,4.22,;11.28,3.82,;10.19,4.91,;8.71,4.51,;8.31,3.03,;6.82,2.63,;3.67,5.47,;2.9,4.13,;1.36,4.13,;.59,2.8,;1.36,1.47,;.59,.13,;-.95,.13,;-1.72,1.47,;-.95,2.8,;-1.72,4.13,;-3.26,4.13,;-4.03,2.8,;-3.26,1.47,;-5.57,2.8,;-6.34,1.47,;-7.88,1.47,;-8.65,2.8,;-7.88,4.13,;-6.34,4.13,;-10.19,2.8,;-10.96,1.47,;-12.5,1.47,;-13.4,.22,;-14.87,.7,;-14.87,2.24,;-13.4,2.71,;2.9,1.47,;3.67,.13,;3.67,-1.41,;5.01,-2.18,;5.01,-3.72,;3.67,-4.49,;3.67,-6.03,;5.01,-6.8,;6.34,-6.03,;7.8,-6.5,;8.71,-5.26,;7.8,-4.01,;8.2,-2.53,;7.11,-1.44,;5.63,-1.04,;7.51,.05,;6.42,1.14,;9,.45,;9.4,1.94,;10.09,-.64,;11.58,-.24,;9.69,-2.13,;10.78,-3.22,;6.34,-4.49,;10.25,-5.26,;11.02,-6.59,;12.56,-6.59,;13.33,-5.26,;14.87,-5.26,;12.56,-3.92,;11.02,-3.92,;2.34,-2.18,;1,-1.41,;2.34,-3.72,;3.67,2.8,;10.59,6.4,;12.08,6.8,)| | ||
| Structure | 
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