Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327]
Ligand
BDBM473418
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:
BDBM473418
Synonyms:
Preparation of N-((2-(1-benzyl-1H-pyrrole-2-carboxamido)ethyl)sulfonyl)-3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3-(hydroxymethyl)-1,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-2-carboxamide | US10844032, Example 207
Type:
Small organic molecule
Emp. Form.:
C40H43ClN6O6S
Mol. Mass.:
771.324
SMILES:
Cc1c(c(CO)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)CCNC(=O)c1cccn1Cc1ccccc1 |(-5.51,-2.09,;-7.02,-1.77,;-7.65,-.36,;-9.18,-.52,;-10.21,.62,;-10.21,2.16,;-9.5,-2.03,;-8.16,-2.8,;-8,-4.33,;-6.88,.97,;-7.65,2.31,;-6.88,3.64,;-5.34,3.64,;-4.57,2.31,;-3.06,1.99,;-1.92,3.02,;-.45,2.54,;.69,3.57,;2.16,3.09,;3.3,4.12,;2.98,5.63,;4.13,6.66,;3.81,8.17,;5.59,6.19,;6.74,7.22,;5.91,4.68,;7.38,4.2,;4.77,3.65,;-2.9,.45,;-4.31,-.17,;-5.34,.97,;-1.57,-.32,;-1.57,-1.86,;-.23,.45,;1.1,-.32,;1.87,1.02,;.33,-1.65,;2.44,-1.09,;3.77,-.32,;5.1,-1.09,;6.44,-.32,;6.44,1.22,;7.77,-1.09,;9.18,-.46,;10.21,-1.6,;9.44,-2.94,;7.93,-2.62,;6.79,-3.65,;7.11,-5.15,;5.96,-6.19,;6.28,-7.69,;7.75,-8.17,;8.89,-7.14,;8.57,-5.63,)|
Structure:
Search PDB for entries with ligand similarity: