Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM596932
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:
BDBM596932
Synonyms:
US11596639, Example 529
Type:
Small organic molecule
Emp. Form.:
C42H43Cl3N8O2
Mol. Mass.:
798.202
SMILES:
C[C@@H]1CN(c2cn(CCCl)c3ccc(cc23)-c2ncn(C)n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-1.48,3.96,;-1.48,2.42,;.06,2.58,;.96,1.34,;2.49,1.5,;3.55,.38,;4.94,1.04,;6.28,.27,;6.28,-1.27,;7.61,-2.04,;4.74,2.57,;5.74,3.74,;5.23,5.19,;3.72,5.47,;2.71,4.3,;3.23,2.85,;3.2,6.93,;1.74,7.4,;1.74,8.94,;3.2,9.42,;3.68,10.88,;4.11,8.17,;.34,-.07,;1.23,-1.32,;-1.2,-.23,;-2.1,-1.48,;-1.63,-2.94,;-.12,-3.27,;.36,-4.73,;1.87,-5.06,;2.35,-6.52,;3.87,-6.79,;4.4,-8.24,;5.9,-8.56,;3.41,-9.42,;3.88,-10.88,;1.89,-9.15,;.92,-10.35,;1.36,-7.7,;-3.57,-1,;-4.9,-1.77,;-6.23,-1,;-6.23,.54,;-7.6,1.25,;-4.9,1.31,;-4.9,2.85,;-3.65,3.75,;-2.19,3.28,;-4.13,5.22,;-5.67,5.22,;-6.44,6.55,;-6.15,3.75,;-7.61,3.28,;-3.57,.54,;-2.1,1.02,)|
Structure:
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