Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM597122
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:
BDBM597122
Synonyms:
US11596639, Example 729
Type:
Small organic molecule
Emp. Form.:
C48H53Cl2N7O6
Mol. Mass.:
894.884
SMILES:
COCCn1c(cc2cc(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nc(CN7CCN(C)C(=O)C7)nc6C)c45)C3=O)c12)C(O)=O |r,wD:15.15,(.82,8.31,;1.22,6.82,;2.71,6.42,;3.19,4.96,;4.69,4.64,;5.84,5.67,;7.17,4.9,;6.85,3.39,;7.76,2.14,;7.13,.74,;8.03,-.51,;5.6,.58,;4.69,1.82,;3.16,1.66,;2.26,2.91,;.72,2.75,;.72,4.29,;.1,1.34,;1,.09,;.1,-1.15,;.5,-2.64,;1.98,-3.04,;2.38,-4.53,;3.87,-4.92,;4.27,-6.41,;5.76,-6.81,;6.16,-8.3,;7.64,-8.7,;5.07,-9.39,;5.46,-10.87,;3.58,-8.99,;2.49,-10.08,;3.18,-7.5,;-1.37,-.68,;-2.7,-1.45,;-4.03,-.68,;-4.03,.86,;-5.37,1.63,;-2.7,1.63,;-2.7,3.17,;-1.37,3.94,;-.03,3.17,;-1.37,5.48,;-2.7,6.25,;-2.7,7.79,;-4.03,8.56,;-4.03,10.1,;-5.37,10.87,;-6.7,10.1,;-8.03,10.87,;-6.7,8.56,;-8.03,7.79,;-5.37,7.79,;-4.03,5.48,;-4.03,3.94,;-5.37,3.17,;-1.37,.86,;2.53,.25,;3.44,-.99,;5.32,3.23,;5.68,7.2,;6.92,8.1,;4.27,7.83,)|
Structure:
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