Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM597066
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:
BDBM597066
Synonyms:
US11596639, Example 665
Type:
Small organic molecule
Emp. Form.:
C42H45Cl2N5O6
Mol. Mass.:
786.743
SMILES:
COCCn1c(cc2cc(OC)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(O)=O |r,wD:16.16,(-.78,9.3,;-.27,7.85,;1.25,7.57,;1.76,6.12,;3.27,5.84,;4.39,6.89,;5.74,6.16,;5.46,4.65,;6.4,3.42,;5.81,2,;6.75,.78,;6.16,-.64,;4.28,1.8,;3.35,3.02,;1.82,2.86,;.91,4.11,;-.62,3.95,;-.62,5.49,;-1.25,2.54,;-.34,1.29,;-1.25,.05,;-.78,-1.42,;.73,-1.75,;1.22,-3.21,;2.72,-3.54,;3.21,-5,;4.72,-5.27,;5.25,-6.71,;6.76,-7.03,;4.26,-7.89,;4.73,-9.36,;2.74,-7.62,;1.78,-8.82,;2.22,-6.18,;-2.71,.52,;-4.05,-.25,;-5.38,.52,;-5.38,2.06,;-6.75,2.77,;-4.05,2.83,;-4.05,4.37,;-5.29,5.28,;-6.76,4.8,;-4.82,6.74,;-3.28,6.74,;-2.51,8.08,;-2.8,5.28,;-1.34,4.8,;-2.71,2.06,;1.19,1.45,;2.08,.2,;3.94,4.44,;4.19,8.42,;2.77,9.01,;5.41,9.36,)|
Structure:
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