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Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM487542
Substrate
n/a
Meas. Tech.
Fluorescence Polarization Anisotropy Competition Assay
IC50
<100.0±n/a nM
Citation
 Lee, T; Kim, K; Christov, PP; Belmar, J; Burke, JP; Olejniczak, ET; Fesik, SW Substituted indole Mcl-1 inhibitors US Patent  US10954193 Publication Date 3/23/2021 
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:
BDBM487542
Synonyms:
US10954193, Example 86
Type:
Small organic molecule
Emp. Form.:
C31H39ClN4O4S
Mol. Mass.:
599.184
SMILES:
CCn1nc(C)c(c1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(C)(=O)=O)c12 |(-5.34,-6.57,;-6.11,-5.23,;-5.34,-3.9,;-3.8,-3.9,;-3.33,-2.44,;-1.99,-1.67,;-4.57,-1.53,;-5.82,-2.44,;-7.15,-1.67,;-4.57,.01,;-5.91,.78,;-5.91,2.32,;-4.57,3.09,;-3.24,2.32,;-1.77,2.8,;-1.37,4.28,;.11,4.68,;.51,6.17,;2,6.57,;3.09,5.48,;2.69,3.99,;3.78,2.9,;3.38,1.41,;5.27,3.3,;6.35,2.21,;5.66,4.79,;7.15,5.19,;4.58,5.88,;-.87,1.55,;.67,1.55,;-1.77,.3,;-1.37,-1.18,;.11,-1.58,;.51,-3.07,;-.58,-4.16,;2,-3.47,;3.09,-2.38,;4.58,-2.78,;2,-1.29,;3.49,-.89,;-3.24,.78,)|
Structure:
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