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Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM451142
Substrate
n/a
Meas. Tech.
Exemplary MCL-1 Inhibitors Bind MCL-1
Ki
<0.010±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:
BDBM451142
Synonyms:
US10676485, Example 52
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)OC[C@H]4COCCO4)c(C[C@@H](Oc4ncnc5sc(C6CCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1 |r,wU:6.5,37.70,21.21,29.30,wD:24.28,(15.03,1.39,;13.54,1.79,;12.45,.7,;10.96,1.1,;10.57,2.58,;9.08,2.98,;7.99,1.89,;4.97,3.73,;3.43,3.73,;2.66,2.39,;1.12,2.39,;.35,1.06,;1.12,-.27,;-.37,-.67,;-1.46,.42,;-2.94,.02,;-3.34,-1.47,;-4.83,-1.87,;-5.92,-.78,;-5.52,.71,;-4.03,1.11,;-6.61,1.8,;-8.1,1.4,;-9.18,2.49,;-8.79,3.98,;-7.3,4.37,;-6.21,3.28,;-9.88,5.06,;-11.36,4.67,;-12.45,5.75,;-13.94,5.36,;-15.03,6.45,;-14.63,7.93,;-13.14,8.33,;-12.05,7.24,;2.66,-.27,;3.43,-1.61,;2.66,-2.94,;3.99,-3.71,;3.99,-5.25,;2.66,-6.02,;2.66,-7.56,;3.99,-8.33,;5.33,-7.56,;6.79,-8.04,;7.7,-6.79,;9.24,-6.79,;10.33,-7.88,;11.42,-6.79,;10.33,-5.7,;6.79,-5.55,;7.19,-4.06,;6.1,-2.97,;5.33,-4.3,;6.5,-1.48,;5.41,-.39,;7.99,-1.08,;8.39,.4,;9.08,-2.17,;10.57,-1.77,;8.68,-3.66,;9.77,-4.75,;5.33,-6.02,;1.33,-3.71,;-.01,-2.94,;1.33,-5.25,;3.43,1.06,;11.65,3.67,;13.14,3.27,)|
Structure:
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