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Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM597083
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:
BDBM597083
Synonyms:
US11596639, Example 682
Type:
Small organic molecule
Emp. Form.:
C43H48Cl2N6O5
Mol. Mass.:
799.784
SMILES:
COCCN(C)c1cc(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(C)c(cc2c1)C(O)=O |r,wD:11.11,(8.22,-2.84,;7.24,-1.65,;7.79,-.21,;6.81,.98,;5.29,.78,;4.7,-.64,;4.35,2,;2.82,1.8,;1.88,3.02,;.35,2.86,;-.55,4.11,;-2.08,3.95,;-2.08,5.49,;-2.71,2.54,;-1.81,1.29,;-2.71,.05,;-2.24,-1.42,;-.73,-1.75,;-.25,-3.21,;1.26,-3.54,;1.75,-5,;3.26,-5.27,;3.79,-6.71,;5.29,-7.03,;2.8,-7.89,;3.27,-9.36,;1.28,-7.62,;.31,-8.82,;.75,-6.18,;-4.18,.52,;-5.51,-.25,;-6.84,.52,;-6.84,2.06,;-8.21,2.77,;-5.51,2.83,;-5.51,4.37,;-6.75,5.28,;-8.22,4.8,;-6.28,6.74,;-4.74,6.74,;-3.97,8.08,;-4.26,5.28,;-2.8,4.8,;-4.18,2.06,;-.27,1.45,;.62,.2,;2.47,4.44,;1.81,5.84,;.3,6.12,;2.93,6.89,;4.28,6.16,;4,4.65,;4.94,3.42,;2.73,8.42,;3.95,9.36,;1.31,9.01,)|
Structure:
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