Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM596961
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:
Human
Description:
Q07820
Residue:
350
Sequence:
MFGLKRNAVIGLNLYCGGAGLGAGSGGATRPGGRLLATEKEASARREIGGGEAGAVIGGSAGASPPSTLTPDSRRVARPPPIGAEVPDVTATPARLLFFAPTRRAAPLEEMEAPAADAIMSPEEELDGYEPEPLGKRPAVLPLLELVGESGNNTSTDGSLPSTPPPAEEEEDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGGIRNVLLAFAGVAGVGAGLAYLIR
  
Inhibitor
Name:
BDBM596961
Synonyms:
US11596639, Example 558
Type:
Small organic molecule
Emp. Form.:
C45H48Cl2N6O6
Mol. Mass.:
839.805
SMILES:
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cc(OCCN2CCOCC2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-3.01,5.53,;-3.01,3.99,;-1.47,4.15,;-.57,2.91,;-1.2,1.5,;-.3,.25,;-2.73,1.34,;-3.63,.09,;-3.16,-1.37,;-1.65,-1.7,;-1.17,-3.16,;.34,-3.49,;.82,-4.95,;2.34,-5.22,;2.87,-6.67,;4.37,-6.99,;1.88,-7.85,;2.35,-9.31,;.36,-7.58,;-.61,-8.78,;-.17,-6.13,;-5.1,.57,;-6.43,-.2,;-7.76,.57,;-7.76,2.11,;-9.13,2.81,;-6.43,2.88,;-6.43,4.42,;-5.1,5.19,;-3.76,4.42,;-5.1,6.73,;-6.43,7.5,;-7.76,6.73,;-7.76,5.19,;-9.1,4.42,;-5.1,2.11,;-3.63,2.58,;.96,3.05,;1.86,1.8,;3.39,1.95,;4.29,.69,;3.65,-.71,;4.54,-1.96,;6.08,-1.81,;7.01,-3.04,;8.53,-2.85,;9.13,-1.43,;8.2,-.2,;6.68,-.39,;4.03,3.35,;3.13,4.6,;3.47,6.11,;2.14,6.89,;1.99,8.42,;3.25,9.31,;.59,9.06,;.99,5.87,;-.52,6.2,;1.6,4.45,)|
Structure:
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