Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM597011
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:
BDBM597011
Synonyms:
US11596639, Example 610
Type:
Small organic molecule
Emp. Form.:
C48H50Cl2N6O6
Mol. Mass.:
877.853
SMILES:
CCOCCOc1cc(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(Cc3ccccn3)cc(C(O)=O)c2c1 |r,wD:11.11,(7.57,-4.87,;8.16,-3.44,;7.22,-2.22,;5.69,-2.42,;4.76,-1.2,;5.35,.22,;4.41,1.44,;2.88,1.24,;1.95,2.47,;.41,2.3,;-.49,3.55,;-2.02,3.39,;-2.02,4.93,;-2.65,1.98,;-1.74,.74,;-2.65,-.51,;-2.18,-1.97,;-.67,-2.3,;-.18,-3.76,;1.32,-4.09,;1.81,-5.55,;3.32,-5.82,;3.85,-7.27,;5.36,-7.59,;2.86,-8.45,;3.33,-9.92,;1.34,-8.18,;.37,-9.38,;.82,-6.73,;-4.11,-.03,;-5.45,-.8,;-6.78,-.03,;-6.78,1.51,;-8.15,2.21,;-5.45,2.28,;-5.45,3.82,;-6.69,4.72,;-8.16,4.25,;-6.22,6.19,;-4.68,6.19,;-3.91,7.52,;-4.2,4.72,;-2.74,4.25,;-4.11,1.51,;-.21,.9,;.68,-.36,;2.54,3.89,;1.87,5.28,;.36,5.56,;-.15,7.01,;.85,8.18,;.33,9.63,;-1.18,9.92,;-2.18,8.74,;-1.67,7.29,;2.99,6.34,;4.34,5.6,;5.73,6.27,;5.85,7.8,;7,5.39,;4.06,4.09,;5,2.87,)|
Structure:
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