Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM50244111
Substrate
n/a
Meas. Tech.
ChEMBL_1842717 (CHEMBL4343144)
Ki
108±n/a nM
Citation
 Wan, Y; Li, Y; Yan, C; Yan, M; Tang, Z Indole: A privileged scaffold for the design of anti-cancer agents. Eur J Med Chem 183:0 (2019) [PubMed]  Article 
Target
Name:
Induced myeloid leukemia cell differentiation protein Mcl-1
Synonyms:
BCL2L3 | Bcl-2-like protein 3 | Bcl-2-like protein 3 (Mcl-1) | Bcl-2-related protein EAT/mcl1 | Bcl2-L-3 | Induced myeloid leukemia cell differentiation protein (Mcl-1) | MCL1 | MCL1_HUMAN | Mcl-1 | Myeloid Cell factor-1 (Mcl-1) | Myeloid cell leukemia sequence 1 (BCL2-related) | mcl1/EAT
Type:
Membrane; Single-pass membrane protein
Mol. Mass.:
37332.87
Organism:
Homo sapiens (Human)
Description:
Q07820
Residue:
350
Sequence:
MFGLKRNAVIGLNLYCGGAGLGAGSGGATRPGGRLLATEKEASARREIGGGEAGAVIGGSAGASPPSTLTPDSRRVARPPPIGAEVPDVTATPARLLFFAPTRRAAPLEEMEAPAADAIMSPEEELDGYEPEPLGKRPAVLPLLELVGESGNNTSTDGSLPSTPPPAEEEEDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGGIRNVLLAFAGVAGVGAGLAYLIR
  
Inhibitor
Name:
BDBM50244111
Synonyms:
CHEMBL4082389 | US10533010, Example I-39 | US11208415, Example I-39
Type:
Small organic molecule
Emp. Form.:
C33H32Cl2N4O4
Mol. Mass.:
619.538
SMILES:
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cccc(c1)C(O)=O |(30.41,-43.18,;28.94,-42.71,;28.46,-41.25,;26.92,-41.25,;26.01,-40.01,;26.45,-42.72,;24.99,-43.2,;27.7,-43.62,;27.71,-45.16,;26.38,-45.94,;25.05,-45.17,;26.38,-47.48,;27.71,-48.25,;29.04,-47.48,;30.52,-47.96,;31,-49.42,;32.5,-49.74,;32.98,-51.21,;34.48,-51.53,;34.96,-52.99,;36.46,-53.3,;36.94,-54.76,;38.45,-55.08,;35.91,-55.92,;36.39,-57.38,;34.4,-55.6,;33.37,-56.74,;33.93,-54.13,;31.43,-46.7,;30.52,-45.45,;29.04,-45.93,;32.97,-46.7,;33.74,-48.04,;33.74,-45.37,;35.28,-45.37,;36.04,-44.04,;37.58,-44.03,;38.36,-45.37,;37.58,-46.71,;36.05,-46.71,;38.35,-48.04,;39.89,-48.04,;37.58,-49.37,)|
Structure:
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