Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327]
Ligand
BDBM286516
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:
BDBM286516
Synonyms:
3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-N-((2-(cyclohexanecarboxamido)ethyl)sulfonyl)-7-(3-(hydroxymethyl)-1,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-2-carboxamide | US10093640, Example 205 | US10844032, Example 205
Type:
Small organic molecule
Emp. Form.:
C35H44ClN5O6S
Mol. Mass.:
698.272
SMILES:
Cc1c(c(CO)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)CCNC(=O)C1CCCCC1 |(-5.76,-3.86,;-7.34,-3.86,;-7.99,-2.41,;-9.56,-2.58,;-10.36,-1.21,;-10.36,.38,;-9.89,-4.13,;-8.52,-4.92,;-8.52,-6.51,;-7.19,-1.04,;-7.96,.29,;-7.19,1.63,;-5.65,1.63,;-4.88,.29,;-3.38,-.03,;-2.29,1.06,;-.8,.66,;.29,1.75,;1.78,1.35,;2.86,2.44,;2.47,3.93,;3.55,5.02,;3.16,6.51,;5.04,4.62,;6.13,5.71,;5.44,3.13,;6.93,2.74,;4.35,2.04,;-3.22,-1.56,;-4.62,-2.18,;-5.65,-1.04,;-1.88,-2.33,;-1.88,-3.87,;-.55,-1.56,;.78,-2.33,;.01,-3.66,;1.55,-.99,;2.12,-3.1,;3.49,-2.3,;4.86,-3.1,;6.24,-2.3,;6.24,-.72,;7.61,-3.1,;7.61,-4.68,;8.98,-5.48,;10.36,-4.68,;10.36,-3.1,;8.98,-2.3,)|
Structure:
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