Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM597000
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:
BDBM597000
Synonyms:
US11596639, Example 598
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)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(CC(=O)N3CCOCC3)c12 |r,wD:1.0,(-.62,4.78,;-.62,3.24,;.91,3.4,;1.82,2.15,;1.19,.75,;2.08,-.51,;-.34,.59,;-1.25,-.66,;-.78,-2.13,;.73,-2.45,;1.22,-3.92,;2.72,-4.24,;3.21,-5.71,;4.72,-5.97,;5.25,-7.42,;6.76,-7.74,;4.26,-8.6,;4.73,-10.07,;2.74,-8.33,;1.78,-9.53,;2.22,-6.88,;-2.71,-.18,;-4.05,-.95,;-5.38,-.18,;-5.38,1.36,;-6.75,2.06,;-4.05,2.13,;-4.05,3.67,;-5.29,4.57,;-6.76,4.1,;-4.82,6.04,;-3.28,6.04,;-2.51,7.37,;-2.8,4.57,;-1.34,4.1,;-2.71,1.36,;-1.25,1.83,;3.35,2.3,;4.24,1.05,;5.78,1.19,;6.67,-.06,;6.41,2.6,;5.52,3.85,;5.85,5.35,;4.52,6.13,;4.38,7.67,;5.86,8.07,;3.72,9.06,;3.37,5.11,;1.87,5.45,;1.87,6.99,;2.64,8.32,;.53,7.76,;.53,9.3,;-.8,10.07,;-2.13,9.3,;-2.13,7.76,;-.8,6.99,;3.99,3.7,)|
Structure:
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