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Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM451119
Substrate
n/a
Meas. Tech.
Exemplary MCL-1 Inhibitors Bind MCL-1
Ki
0.011±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 
Target
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:
MFGLKRNAVIGLNLYCGGAGLGAGSGGATRPGGRLLATEKEASARREIGGGEAGAVIGGSAGASPPSTLTPDSRRVARPPPIGAEVPDVTATPARLLFFAPTRRAAPLEEMEAPAADAIMSPEEELDGYEPEPLGKRPAVLPLLELVGESGNNTSTDGSLPSTPPPAEEEEDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGGIRNVLLAFAGVAGVGAGLAYLIR
  
Inhibitor
Name:
BDBM451119
Synonyms:
US10676485, Example 29
Type:
Small organic molecule
Emp. Form.:
C51H60Cl2N6O9S
Mol. Mass.:
1004.028
SMILES:
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OCC4COCCO4)c(C[C@@H](Oc4ncnc5sc(C6CCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1 |r,wU:6.5,37.70,21.21,wD:24.28,(14.99,1.32,;13.5,1.72,;12.41,.63,;10.92,1.03,;10.53,2.52,;9.04,2.91,;7.95,1.82,;4.93,3.66,;3.39,3.66,;2.62,2.33,;1.08,2.33,;.31,.99,;1.08,-.34,;-.41,-.74,;-1.89,-.34,;-2.29,1.15,;-1.2,2.24,;-1.6,3.72,;-3.09,4.12,;-4.18,3.03,;-3.78,1.54,;-5.67,3.43,;-6.75,2.34,;-8.24,2.74,;-8.64,4.23,;-7.55,5.32,;-6.06,4.92,;-10.13,4.63,;-10.53,6.11,;-12.01,6.51,;-12.41,8,;-13.9,8.4,;-14.99,7.31,;-14.59,5.82,;-13.1,5.42,;2.62,-.34,;3.39,-1.68,;2.62,-3.01,;3.96,-3.78,;3.96,-5.32,;2.62,-6.09,;2.62,-7.63,;3.96,-8.4,;5.29,-7.63,;6.75,-8.1,;7.66,-6.86,;9.2,-6.86,;10.29,-7.95,;11.38,-6.86,;10.29,-5.77,;6.75,-5.61,;7.15,-4.13,;6.06,-3.04,;5.29,-4.37,;6.46,-1.55,;5.37,-.46,;7.95,-1.15,;8.35,.34,;9.04,-2.24,;10.53,-1.84,;8.64,-3.73,;9.73,-4.82,;5.29,-6.09,;1.29,-3.78,;-.05,-3.01,;1.29,-5.32,;3.39,.99,;11.62,3.6,;13.1,3.21,)|
Structure:
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