Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM596943
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:
BDBM596943
Synonyms:
US11596639, Example 540
Type:
Small organic molecule
Emp. Form.:
C48H50Cl2N6O6
Mol. Mass.:
877.853
SMILES:
COCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(Cc3cccc(C)n3)c(cc2c1)C(O)=O |r,wD:10.10,(6.97,-5.06,;6.08,-3.81,;6.71,-2.4,;5.82,-1.15,;6.46,.25,;5.56,1.5,;4.03,1.36,;3.13,2.61,;1.6,2.46,;.7,3.71,;-.84,3.55,;-.84,5.09,;-1.46,2.14,;-.56,.9,;-1.46,-.35,;-.99,-1.82,;.52,-2.15,;1,-3.61,;2.51,-3.94,;2.99,-5.4,;4.51,-5.66,;5.04,-7.11,;6.54,-7.43,;4.05,-8.29,;4.52,-9.76,;2.53,-8.02,;1.56,-9.22,;2,-6.58,;-2.93,.13,;-4.26,-.64,;-5.59,.13,;-5.59,1.67,;-6.96,2.37,;-4.26,2.44,;-4.26,3.98,;-3.01,4.88,;-1.55,4.4,;-3.49,6.35,;-5.03,6.35,;-5.8,7.68,;-5.51,4.88,;-6.97,4.4,;-2.93,1.67,;.97,1.06,;1.87,-.2,;3.77,4.01,;3.16,5.42,;1.65,5.76,;.88,7.09,;1.65,8.42,;.88,9.76,;-.66,9.76,;-1.43,8.42,;-2.97,8.42,;-.66,7.09,;4.31,6.44,;5.64,5.66,;5.31,4.16,;6.2,2.91,;4.16,7.98,;5.42,8.87,;2.76,8.61,)|
Structure:
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