Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetInduced myeloid leukemia cell differentiation protein Mcl-1
LigandBDBM50244142
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1673169
Ki 0.500000±n/a nM
Citation Shaw SBian ZZhao BTarr JCVeerasamy NJeon KOBelmar JArnold ALFogarty SAPerry ESensintaffar JLCamper DVRossanese OWLee TOlejniczak ETFesik SW Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design. J Med Chem 61:2410-2421 (2018) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Induced myeloid leukemia cell differentiation protein Mcl-1
Name:Induced myeloid leukemia cell differentiation protein Mcl-1
Synonyms: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) | 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:n/a
Residue:350
Sequence:
MFGLKRNAVIGLNLYCGGAGLGAGSGGATRPGGRLLATEKEASARREIGGGEAGAVIGGS
AGASPPSTLTPDSRRVARPPPIGAEVPDVTATPARLLFFAPTRRAAPLEEMEAPAADAIM
SPEEELDGYEPEPLGKRPAVLPLLELVGESGNNTSTDGSLPSTPPPAEEEEDELYRQSLE
IISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNE
DDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVR
TKRDWLVKQRGWDGFVEFFHVEDLEGGIRNVLLAFAGVAGVGAGLAYLIR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50244142
n/a
NameBDBM50244142
Synonyms:CHEMBL4086356
TypeSmall organic molecule
Emp. Form.C39H39Cl2N5O4
Mol. Mass.712.664
SMILESCc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2n(C)ccc12)C(O)=O |(28.45,-6,;26.98,-5.52,;26.5,-4.06,;24.96,-4.06,;24.05,-2.82,;24.49,-5.53,;23.03,-6.01,;25.74,-6.43,;25.75,-7.98,;24.42,-8.75,;23.09,-7.98,;24.42,-10.29,;25.75,-11.06,;27.08,-10.29,;28.56,-10.77,;29.04,-12.24,;30.54,-12.56,;31.02,-14.02,;32.52,-14.34,;33,-15.81,;34.5,-16.12,;34.98,-17.58,;36.49,-17.89,;33.95,-18.73,;34.43,-20.2,;32.44,-18.41,;31.41,-19.55,;31.97,-16.95,;29.47,-9.51,;31.03,-9.58,;31.64,-10.99,;32.05,-8.4,;31.76,-6.87,;30.39,-6.14,;28.97,-6.76,;28.56,-8.26,;27.08,-8.74,;33.53,-8.8,;34.61,-7.71,;36.09,-8.11,;36.5,-9.6,;35.4,-10.69,;35.48,-12.22,;36.77,-13.06,;34.05,-12.77,;33.08,-11.57,;33.92,-10.29,;37.18,-7.02,;36.78,-5.53,;38.67,-7.41,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: