Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327]
Ligand
BDBM38147
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:
BDBM38147
Synonyms:
3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3-(hydroxymethyl)-1,5-dimethyl-1H-pyrazol-4-yl)-N-(phenylsulfonyl)-1H-indole-2-carboxamide | US10093640, Example 127 | US10844032, Example 127
Type:
Small organic molecule
Emp. Form.:
C32H33ClN4O5S
Mol. Mass.:
621.146
SMILES:
Cc1c(c(CO)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-1.6,-5.31,;-2.93,-6.08,;-4.18,-5.17,;-5.42,-6.08,;-6.91,-5.68,;-8,-6.77,;-4.95,-7.54,;-3.41,-7.54,;-2.64,-8.88,;-4.18,-3.63,;-5.51,-2.86,;-5.51,-1.32,;-4.18,-.55,;-2.84,-1.32,;-1.38,-.85,;-.98,.64,;.51,1.04,;.91,2.53,;2.39,2.93,;2.79,4.41,;1.7,5.5,;2.1,6.99,;1.01,8.08,;3.59,7.39,;3.99,8.88,;4.68,6.3,;6.17,6.7,;4.28,4.81,;-.47,-2.09,;-1.38,-3.34,;-2.84,-2.86,;1.07,-2.09,;1.84,-.76,;1.84,-3.43,;3.38,-3.43,;3.38,-4.97,;3.38,-1.89,;4.92,-3.43,;5.69,-4.76,;7.23,-4.76,;8,-3.43,;7.23,-2.09,;5.69,-2.09,)|
Structure:
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