Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM596979
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:
BDBM596979
Synonyms:
US11596639, Example 576
Type:
Small organic molecule
Emp. Form.:
C46H44Cl2N6O4
Mol. Mass.:
815.785
SMILES:
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(Cc3cccc(C)n3)c12 |r,wD:1.0,(-.63,4.42,;-.63,2.88,;.91,3.04,;1.81,1.8,;1.18,.39,;2.08,-.86,;-.35,.23,;-1.25,-1.02,;-.78,-2.48,;.73,-2.81,;1.21,-4.27,;2.72,-4.6,;3.2,-6.06,;4.72,-6.33,;5.25,-7.78,;6.75,-8.1,;4.26,-8.96,;4.73,-10.42,;2.74,-8.69,;1.77,-9.89,;2.21,-7.24,;-2.72,-.54,;-4.05,-1.31,;-5.38,-.54,;-5.38,1,;-6.75,1.71,;-4.05,1.77,;-4.05,3.31,;-2.72,4.08,;-1.38,3.31,;-2.72,5.62,;-4.05,6.39,;-5.38,5.62,;-5.38,4.08,;-6.72,3.31,;-2.72,1,;-1.25,1.47,;3.34,1.94,;4.24,.69,;5.77,.84,;6.67,-.42,;6.41,2.24,;5.51,3.49,;5.85,5,;4.52,5.78,;4.37,7.31,;5.63,8.2,;2.97,7.95,;3.37,4.76,;1.86,5.09,;1.09,6.42,;-.45,6.42,;-1.22,7.76,;-.45,9.09,;1.09,9.09,;1.86,10.42,;1.86,7.76,;3.98,3.34,)|
Structure:
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