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Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM50244153
Substrate
n/a
Meas. Tech.
ChEMBL_1673169 (CHEMBL4023198)
Ki
0.240000±n/a nM
Citation
 Shaw, S; Bian, Z; Zhao, B; Tarr, JC; Veerasamy, N; Jeon, KO; Belmar, J; Arnold, AL; Fogarty, SA; Perry, E; Sensintaffar, JL; Camper, DV; Rossanese, OW; Lee, T; Olejniczak, ET; Fesik, SW Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design. J Med Chem 61:2410-2421 (2018) [PubMed]  Article 
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:
BDBM50244153
Synonyms:
CHEMBL4087636 | US11596639, Example 68
Type:
Small organic molecule
Emp. Form.:
C39H39Cl2N5O4
Mol. Mass.:
712.664
SMILES:
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2cc(ccc12)C(O)=O |(29.33,-42.13,;27.86,-41.66,;27.38,-40.2,;25.84,-40.2,;24.93,-38.96,;25.37,-41.67,;23.91,-42.15,;26.62,-42.57,;26.63,-44.11,;25.3,-44.88,;23.96,-44.12,;25.3,-46.43,;26.63,-47.2,;27.96,-46.43,;29.44,-46.91,;29.91,-48.37,;31.42,-48.69,;31.9,-50.16,;33.4,-50.48,;33.88,-51.94,;35.38,-52.25,;35.86,-53.71,;37.37,-54.03,;34.83,-54.87,;35.31,-56.33,;33.32,-54.55,;32.29,-55.69,;32.85,-53.08,;30.35,-45.65,;31.91,-45.71,;32.52,-47.13,;32.93,-44.54,;32.64,-43.01,;31.27,-42.27,;29.85,-42.89,;29.44,-44.4,;27.96,-44.88,;34.41,-44.94,;35.62,-43.97,;36.91,-44.81,;38.34,-44.26,;36.5,-46.29,;37.34,-47.58,;36.64,-48.94,;35.1,-49.02,;34.27,-47.73,;34.97,-46.37,;37.48,-50.23,;39.02,-50.15,;36.79,-51.6,)|
Structure:
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