Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327]
Ligand
BDBM289082
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:
BDBM289082
Synonyms:
3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(1,5-dimethyl-3-((pyridin-2-yloxy)methyl)-1H-pyrazol-4-yl)-1H-indole-2-carboxylic acid | US10093640, Example 306 | US10844032, Example 306
Type:
Small organic molecule
Emp. Form.:
C37H36ClN5O5S
Mol. Mass.:
698.23
SMILES:
Cc1c(c(COc2ccccn2)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(7.76,-1.79,;6.3,-2.27,;5.05,-1.36,;3.81,-2.27,;2.34,-1.79,;1.2,-2.82,;1.52,-4.33,;2.98,-4.8,;3.3,-6.31,;2.16,-7.34,;.69,-6.87,;.37,-5.36,;4.28,-3.73,;5.82,-3.73,;6.73,-4.98,;5.05,.18,;6.39,.95,;6.39,2.49,;5.05,3.26,;3.72,2.49,;2.26,2.96,;1.78,4.43,;.27,4.75,;-.2,6.21,;-1.71,6.53,;-2.19,8,;-3.69,8.32,;-4.17,9.78,;-5.67,10.1,;-3.14,10.93,;-3.61,12.39,;-1.63,10.61,;-.6,11.75,;-1.15,9.14,;1.35,1.72,;2.26,.47,;3.72,.95,;-.19,1.72,;-.96,3.05,;-.96,.38,;-2.5,.38,;-2.5,1.92,;-2.5,-1.16,;-4.04,.38,;-4.81,-.95,;-6.35,-.95,;-7.12,.38,;-6.35,1.72,;-4.81,1.72,)|
Structure:
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