Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM597093
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:
BDBM597093
Synonyms:
US11596639, Example 692
Type:
Small organic molecule
Emp. Form.:
C44H47Cl2N5O6
Mol. Mass.:
812.78
SMILES:
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(COCC2COC2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-2.63,5.49,;-2.63,3.95,;-1.1,4.11,;-.2,2.86,;-.82,1.45,;.07,.2,;-2.35,1.29,;-3.26,.05,;-2.79,-1.42,;-1.28,-1.75,;-.8,-3.21,;.71,-3.54,;1.2,-5,;2.71,-5.27,;3.24,-6.71,;4.74,-7.03,;2.25,-7.89,;2.72,-9.36,;.73,-7.62,;-.24,-8.82,;.2,-6.18,;-4.72,.52,;-6.06,-.25,;-7.39,.52,;-7.39,2.06,;-8.76,2.77,;-6.06,2.83,;-6.06,4.37,;-7.3,5.28,;-8.77,4.8,;-6.83,6.74,;-5.29,6.74,;-4.52,8.08,;-4.81,5.28,;-3.35,4.8,;-4.72,2.06,;-3.26,2.54,;1.33,3.02,;2.27,1.8,;3.8,2,;4.74,.78,;4.15,-.64,;5.08,-1.87,;6.61,-1.67,;7.83,-2.6,;8.77,-1.38,;7.55,-.44,;4.39,3.42,;3.45,4.65,;3.73,6.16,;2.38,6.89,;2.18,8.42,;3.4,9.36,;.76,9.01,;1.26,5.84,;-.25,6.12,;1.92,4.44,)|
Structure:
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