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Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM597057
Substrate
n/a
Meas. Tech.
TR-FRET Binding Assay
Ki
<0.200±n/a nM
Citation
 Lee, T; Tarr, JC; Jeon, K; Salovich, JM; Shaw, S; Veerasamy, N; Kim, K; Christov, PP; Olejniczak, ET; Zhao, B; Fesik, SW; Bian, Z Substituted indole Mcl-1 inhibitors US Patent  US11596639 Publication Date 3/7/2023 
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:
BDBM597057
Synonyms:
US11596639, Example 656
Type:
Small organic molecule
Emp. Form.:
C44H49Cl2N5O7
Mol. Mass.:
830.795
SMILES:
COCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(CCOC)cc(C(O)=O)c2c1 |r,wD:10.10,(8.16,-3.3,;7.22,-2.08,;7.81,-.66,;6.87,.56,;5.35,.36,;4.41,1.58,;2.88,1.38,;1.95,2.61,;.41,2.45,;-.49,3.69,;-2.02,3.53,;-2.02,5.07,;-2.65,2.12,;-1.74,.88,;-2.65,-.37,;-2.18,-1.83,;-.67,-2.16,;-.18,-3.62,;1.32,-3.95,;1.81,-5.41,;3.32,-5.68,;3.85,-7.13,;5.36,-7.45,;2.86,-8.31,;3.33,-9.77,;1.34,-8.04,;.37,-9.24,;.82,-6.59,;-4.11,.11,;-5.45,-.66,;-6.78,.11,;-6.78,1.65,;-8.15,2.35,;-5.45,2.42,;-5.45,3.96,;-6.69,4.86,;-8.16,4.39,;-6.22,6.33,;-4.68,6.33,;-3.91,7.66,;-4.2,4.86,;-2.74,4.39,;-4.11,1.65,;-.21,1.04,;.68,-.21,;2.54,4.03,;1.87,5.42,;.36,5.7,;-.15,7.15,;.85,8.32,;.33,9.77,;2.99,6.48,;4.34,5.74,;5.73,6.41,;5.85,7.94,;7,5.53,;4.06,4.23,;5,3.01,)|
Structure:
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