Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327]
Ligand
BDBM38150
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:
BDBM38150
Synonyms:
3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3-(methoxymethyl)-1,5-dimethyl-1H-pyrazol-4-yl)-N-(phenylsulfonyl)-1H-indole-2-carboxamide | US10093640, Example 130 | US10844032, Example 130
Type:
Small organic molecule
Emp. Form.:
C33H35ClN4O5S
Mol. Mass.:
635.173
SMILES:
COCc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-8.74,-6.37,;-7.25,-6.77,;-6.17,-5.68,;-4.68,-6.08,;-4.2,-7.54,;-2.66,-7.54,;-1.89,-8.88,;-2.19,-6.08,;-.85,-5.31,;-3.43,-5.17,;-3.43,-3.63,;-4.77,-2.86,;-4.77,-1.32,;-3.43,-.55,;-2.1,-1.32,;-.63,-.85,;-.23,.64,;1.25,1.04,;1.65,2.53,;3.14,2.93,;3.54,4.41,;2.45,5.5,;2.85,6.99,;1.76,8.08,;4.33,7.39,;4.73,8.88,;5.42,6.3,;6.91,6.7,;5.02,4.81,;.27,-2.09,;-.63,-3.34,;-2.1,-2.86,;1.81,-2.09,;2.58,-.76,;2.58,-3.43,;4.12,-3.43,;4.12,-4.97,;4.12,-1.89,;5.66,-3.43,;6.43,-4.76,;7.97,-4.76,;8.74,-3.43,;7.97,-2.09,;6.43,-2.09,)|
Structure:
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