Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM596942
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:
BDBM596942
Synonyms:
US11596639, Example 539
Type:
Small organic molecule
Emp. Form.:
C42H43Cl2N5O6
Mol. Mass.:
784.727
SMILES:
COCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)ncnc5C)c34)C2=O)c2n(C)c(cc2c1)C(O)=O |r,wD:10.10,(6.97,-4.62,;6.07,-3.36,;6.71,-1.96,;5.81,-.71,;6.45,.69,;5.56,1.95,;4.02,1.8,;3.13,3.05,;1.6,2.91,;.69,4.15,;-.84,3.99,;-.84,5.53,;-1.47,2.58,;-.56,1.34,;-1.47,.09,;-.99,-1.37,;.51,-1.7,;1,-3.16,;2.5,-3.49,;2.99,-4.95,;4.51,-5.22,;5.03,-6.67,;6.54,-6.99,;4.04,-7.85,;4.51,-9.31,;2.52,-7.58,;1.56,-8.78,;2,-6.13,;-2.93,.57,;-4.26,-.2,;-5.6,.57,;-5.6,2.11,;-6.97,2.81,;-4.26,2.88,;-4.26,4.42,;-5.6,5.19,;-6.93,4.42,;-5.6,6.73,;-4.26,7.5,;-2.93,6.73,;-2.93,5.19,;-1.6,4.42,;-2.93,2.11,;.97,1.5,;1.87,.25,;3.77,4.45,;3.15,5.87,;1.65,6.2,;4.31,6.89,;5.63,6.11,;5.3,4.6,;6.2,3.35,;4.16,8.42,;5.41,9.31,;2.76,9.06,)|
Structure:
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