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Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM597121
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:
BDBM597121
Synonyms:
US11596639, Example 728
Type:
Small organic molecule
Emp. Form.:
C41H43Cl2N5O6
Mol. Mass.:
772.716
SMILES:
COCCn1c(cc2c(OC)ccc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)n[nH]c6C)c45)C3=O)c12)C(O)=O |r,wD:16.16,(-1.43,9.59,;-1.03,8.1,;.46,7.7,;.93,6.24,;2.44,5.92,;3.59,6.95,;4.92,6.18,;4.6,4.67,;5.5,3.43,;7.04,3.59,;7.66,5,;4.88,2.02,;3.35,1.86,;2.44,3.11,;.91,2.95,;0,4.19,;-1.53,4.03,;-1.53,5.57,;-2.15,2.62,;-1.25,1.38,;-2.15,.13,;-1.75,-1.36,;-.27,-1.75,;.13,-3.24,;1.62,-3.64,;2.02,-5.13,;3.5,-5.53,;3.9,-7.01,;5.39,-7.41,;2.81,-8.1,;3.21,-9.59,;1.33,-7.7,;.24,-8.79,;.93,-6.22,;-3.62,.61,;-4.95,-.16,;-6.29,.61,;-6.29,2.15,;-7.62,2.92,;-4.95,2.92,;-4.95,4.46,;-6.2,5.36,;-7.66,4.89,;-5.72,6.83,;-4.18,6.83,;-3.71,5.36,;-2.24,4.89,;-3.62,2.15,;.28,1.54,;1.19,.29,;3.07,4.51,;3.42,8.48,;4.67,9.39,;2.02,9.11,)|
Structure:
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