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Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM451118
Substrate
n/a
Meas. Tech.
Exemplary MCL-1 Inhibitors Bind MCL-1 in the presence of 10% HS
Ki
0.180±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:
BDBM451118
Synonyms:
US10676485, Example 28
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:39.75,6.5,24.26,wD:21.21,29.29,24.25,(15.55,6.11,;14.06,5.71,;13.66,4.22,;12.17,3.82,;11.09,4.91,;9.6,4.51,;9.2,3.03,;7.71,2.63,;4.56,5.47,;3.79,4.13,;2.25,4.13,;1.48,2.8,;2.25,1.47,;1.48,.13,;-.06,.13,;-.83,1.47,;-.06,2.8,;-.83,4.13,;-2.37,4.13,;-3.14,2.8,;-2.37,1.47,;-4.68,2.8,;-5.45,4.13,;-6.99,4.13,;-7.76,2.8,;-9.09,2.03,;-9.09,3.57,;-10.42,2.8,;-11.76,3.57,;-13.09,2.8,;-13.09,1.26,;-14.43,.49,;-15.76,1.26,;-15.76,2.8,;-14.43,3.57,;-6.99,1.47,;-5.45,1.47,;3.79,1.47,;4.56,.13,;4.56,-1.41,;5.9,-2.18,;5.9,-3.72,;4.56,-4.49,;4.56,-6.03,;5.9,-6.8,;7.23,-6.03,;8.69,-6.5,;9.6,-5.26,;8.69,-4.01,;9.09,-2.53,;8,-1.44,;6.52,-1.04,;8.4,.05,;7.31,1.14,;9.89,.45,;10.29,1.94,;10.98,-.64,;12.47,-.24,;10.58,-2.13,;11.67,-3.22,;7.23,-4.49,;11.14,-5.26,;11.91,-6.59,;13.45,-6.59,;14.22,-5.26,;15.76,-5.26,;13.45,-3.92,;11.91,-3.92,;3.23,-2.18,;1.9,-1.41,;3.23,-3.72,;4.56,2.8,;11.48,6.4,;12.97,6.8,)|
Structure:
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