Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327]
Ligand
BDBM286515
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:
BDBM286515
Synonyms:
3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3-(hydroxymethyl)-1,5-dimethyl-1H-pyrazol-4-yl)-N-(m-tolylsulfonyl)-1H-indole-2-carboxamide | US10093640, Example 204 | US10844032, Example 204
Type:
Small organic molecule
Emp. Form.:
C33H35ClN4O5S
Mol. Mass.:
635.173
SMILES:
Cc1c(c(CO)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(C)c1 |(-1.46,-5.28,;-2.83,-6.07,;-4.12,-5.14,;-5.4,-6.07,;-6.77,-5.28,;-8.15,-6.07,;-4.91,-7.58,;-3.32,-7.58,;-2.53,-8.95,;-4.12,-3.55,;-5.45,-2.78,;-5.45,-1.24,;-4.12,-.47,;-2.78,-1.24,;-1.32,-.77,;-.92,.72,;.57,1.12,;.97,2.6,;2.45,3,;2.85,4.49,;1.76,5.58,;2.16,7.07,;1.07,8.16,;3.65,7.47,;4.05,8.95,;4.74,6.38,;6.22,6.77,;4.34,4.89,;-.41,-2.01,;-1.32,-3.26,;-2.78,-2.78,;1.13,-2.01,;1.9,-3.35,;1.9,-.68,;3.44,-.68,;3.44,-2.22,;3.44,.86,;4.98,-.68,;5.77,.69,;7.35,.69,;8.15,-.68,;7.35,-2.05,;8.15,-3.43,;5.77,-2.05,)|
Structure:
Search PDB for entries with ligand similarity: