Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327]
Ligand
BDBM38144
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:
BDBM38144
Synonyms:
7-(3-((4-(4-acetylpiperazin-1-yl)phenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-N-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide | US10093640, Example 124 | US10844032, Example 124
Type:
Small organic molecule
Emp. Form.:
C50H52ClN7O6S
Mol. Mass.:
914.509
SMILES:
CC(=O)N1CCN(CC1)c1ccc(OCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c(C(=O)NS(=O)(=O)c4ccccc4)n(Cc4cccnc4)c23)cc1 |(-13.75,-5.07,;-12.66,-3.98,;-13.06,-2.49,;-11.17,-4.38,;-10.08,-3.29,;-8.6,-3.69,;-8.2,-5.17,;-9.29,-6.26,;-10.77,-5.86,;-6.71,-5.57,;-5.62,-4.48,;-4.13,-4.88,;-3.73,-6.37,;-2.25,-6.77,;-1.16,-5.68,;.33,-6.08,;.81,-7.54,;2.35,-7.54,;3.12,-8.88,;2.82,-6.08,;4.15,-5.31,;1.58,-5.17,;1.58,-3.63,;.24,-2.86,;.24,-1.32,;1.58,-.55,;2.91,-1.32,;4.37,-.85,;4.77,.64,;6.26,1.04,;6.66,2.53,;8.15,2.93,;8.54,4.41,;7.46,5.5,;7.85,6.99,;6.76,8.08,;9.34,7.39,;9.74,8.88,;10.43,6.3,;11.92,6.7,;10.03,4.81,;5.28,-2.09,;6.82,-2.09,;7.59,-.76,;7.59,-3.43,;9.13,-3.43,;9.13,-4.97,;9.13,-1.89,;10.67,-3.43,;11.44,-4.76,;12.98,-4.76,;13.75,-3.43,;12.98,-2.09,;11.44,-2.09,;4.37,-3.34,;4.77,-4.83,;6.26,-5.22,;5.86,-6.71,;6.95,-7.8,;8.44,-7.4,;8.84,-5.91,;7.75,-4.83,;2.91,-2.86,;-4.82,-7.46,;-6.31,-7.06,)|
Structure:
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