Reaction Details | |||
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Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
Ligand | BDBM451136 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Exemplary MCL-1 Inhibitors Bind MCL-1 | ||
Ki | 0.022±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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BDBM451136 | |||
n/a | |||
Name | BDBM451136 | ||
Synonyms: | US10676485, Example 46 | ||
Type | Small organic molecule | ||
Emp. Form. | C54H58Cl2F2N6O9S | ||
Mol. Mass. | 1076.041 | ||
SMILES | CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@](F)(COC[C@@H]5COCCO5)CC4)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:21.21,24.26,6.5,39.75,wD:29.29,24.25,(-15.71,-6.27,;-14.23,-5.88,;-13.83,-4.39,;-12.34,-3.99,;-11.25,-5.08,;-9.76,-4.68,;-9.36,-3.19,;-7.88,-2.79,;-7.48,-1.31,;-5.99,-1.7,;-5.59,-3.19,;-4.1,-3.59,;-3.02,-2.5,;-1.53,-2.9,;.01,-2.9,;.78,-1.57,;.01,-.23,;.78,1.1,;2.32,1.1,;3.09,-.23,;2.32,-1.57,;4.63,-.23,;5.4,1.1,;6.94,1.1,;7.71,-.23,;9.05,.54,;9.05,-1,;10.38,-.23,;11.71,-1,;13.05,-.23,;13.05,1.31,;14.38,2.08,;15.71,1.31,;15.71,-.23,;14.38,-1,;6.94,-1.57,;5.4,-1.57,;-3.41,-1.01,;-2.33,.07,;-2.72,1.56,;-4.21,1.96,;-4.21,3.14,;-2.88,3.91,;-2.88,5.45,;-4.21,6.22,;-5.55,5.45,;-7.01,5.93,;-7.92,4.68,;-7.01,3.43,;-8.1,2.34,;-9.59,2.74,;-9.99,4.23,;-10.68,1.65,;-12.16,2.05,;-10.28,.17,;-11.37,-.92,;-8.79,-.23,;-9.56,-1.57,;-7.7,.86,;-6.21,1.26,;-5.55,3.91,;-9.4,5.08,;-9.8,6.57,;-11.29,6.96,;-12.38,5.88,;-13.87,6.27,;-11.98,4.39,;-10.49,3.99,;-1.64,2.65,;-.15,2.25,;-2.03,4.14,;-4.9,-.62,;-11.65,-6.57,;-13.14,-6.96,)| | ||
Structure |