Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM596981
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:
BDBM596981
Synonyms:
US11596639, Example 578
Type:
Small organic molecule
Emp. Form.:
C44H49Cl2N5O5
Mol. Mass.:
798.796
SMILES:
CC(C)OCCn1c(cc2cc(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(O)=O |r,wD:17.17,(-.44,9.76,;-1.21,8.42,;-2.75,8.42,;-.44,7.09,;1.1,7.09,;1.87,5.76,;3.37,5.42,;4.52,6.44,;5.85,5.66,;5.52,4.16,;6.41,2.91,;5.78,1.5,;6.67,.25,;4.24,1.36,;3.35,2.61,;1.82,2.46,;.91,3.71,;-.62,3.55,;-.62,5.09,;-1.25,2.14,;-.34,.9,;-1.25,-.35,;-.78,-1.82,;.73,-2.15,;1.22,-3.61,;2.72,-3.94,;3.21,-5.4,;4.72,-5.66,;5.25,-7.11,;6.76,-7.43,;4.26,-8.29,;4.73,-9.76,;2.74,-8.02,;1.78,-9.22,;2.22,-6.58,;-2.71,.13,;-4.05,-.64,;-5.38,.13,;-5.38,1.67,;-6.75,2.37,;-4.05,2.44,;-4.05,3.98,;-5.29,4.88,;-6.76,4.4,;-4.82,6.35,;-3.28,6.35,;-2.51,7.68,;-2.8,4.88,;-1.34,4.4,;-2.71,1.67,;1.19,1.06,;2.08,-.2,;3.99,4.01,;4.38,7.98,;5.63,8.87,;2.97,8.61,)|
Structure:
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