Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327]
Ligand
BDBM289084
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
<100.0±n/a nM
Citation
 Lee, T; Pelz, NF; Belmar, J; Bian, Z; Olejniczak, ET; Fesik, SW; Chauder, BA Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors US Patent  US10844032 Publication Date 11/24/2020 
Target
Name:
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327]
Synonyms:
BCL2L3 | Induced myeloid leukemia cell differentiation protein Mcl-1 (aa 172-327) | MCL1 | MCL1_HUMAN | Mcl-1 (aa 172-327) | Mcl-1 (residues 172-327)
Type:
n/a
Mol. Mass.:
17768.02
Organism:
Homo sapiens (Human)
Description:
Q07820[172-327]
Residue:
156
Sequence:
DELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGG
  
Inhibitor
Name:
BDBM289084
Synonyms:
3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3-((2-(dimethylamino)ethoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-N-(phenylsulfonyl)-1H-indole-2-carboxamide | US10093640, Example 308 | US10844032, Example 308
Type:
Small organic molecule
Emp. Form.:
C36H42ClN5O5S
Mol. Mass.:
692.267
SMILES:
CN(C)CCOCc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(13.4,-2.38,;12.25,-1.35,;12.57,.15,;10.79,-1.83,;9.64,-.8,;8.18,-1.28,;7.03,-.24,;5.57,-.72,;5.09,-2.19,;3.55,-2.19,;2.65,-3.43,;3.08,-.72,;1.61,-.24,;4.32,.18,;4.32,1.72,;5.66,2.49,;5.66,4.03,;4.32,4.8,;2.99,4.03,;1.53,4.51,;1.05,5.97,;-.46,6.29,;-.93,7.76,;-2.44,8.08,;-3.47,6.94,;-2.99,5.47,;-4.02,4.33,;-3.55,2.86,;-5.53,4.65,;-6.56,3.5,;-6.01,6.11,;-7.51,6.43,;-4.98,7.26,;.62,3.26,;1.53,2.02,;2.99,2.49,;-.92,3.26,;-1.69,4.6,;-1.69,1.93,;-.92,.6,;.41,1.37,;-.15,-.74,;-2.25,-.17,;-2.25,-1.71,;-3.59,-2.48,;-4.92,-1.71,;-4.92,-.17,;-3.59,.6,)|
Structure:
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