Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327]
Ligand
BDBM289076
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:
BDBM289076
Synonyms:
3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(2-methoxy-4-methylpyridin-3-yl)-N-(phenylsulfonyl)-1H-indole-2-carboxamide | US10093640, Example 301 | US10844032, Example 301
Type:
Small organic molecule
Emp. Form.:
C33H32ClN3O5S
Mol. Mass.:
618.142
SMILES:
COc1nccc(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-.09,-1.42,;.54,-2.83,;1.87,-3.6,;1.87,-5.14,;3.21,-5.91,;4.54,-5.14,;4.54,-3.6,;5.87,-2.83,;3.21,-2.83,;3.21,-1.29,;4.54,-.52,;4.54,1.02,;3.21,1.79,;1.87,1.02,;.41,1.5,;-.07,2.96,;.96,4.11,;.49,5.57,;1.52,6.72,;1.04,8.18,;-.47,8.5,;-.94,9.97,;-2.45,10.29,;.09,11.11,;-.39,12.57,;1.59,10.79,;2.63,11.93,;2.07,9.33,;-.5,.25,;.41,-.99,;1.87,-.52,;-2.04,.25,;-2.81,1.59,;-2.81,-1.08,;-2.04,-2.41,;-3.37,-3.18,;-.7,-1.64,;-1.27,-3.75,;.27,-3.75,;1.04,-5.08,;.27,-6.42,;-1.27,-6.42,;-2.04,-5.08,)|
Structure:
Search PDB for entries with ligand similarity: