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TargetInduced myeloid leukemia cell differentiation protein Mcl-1
LigandBDBM50078159
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1472596 (CHEMBL3417961)
Ki 2.7±n/a nM
Citation Bruncko, MWang, LSheppard, GSPhillips, DCTahir, SKXue, JErickson, SFidanze, SFry, EHasvold, LJenkins, GJJin, SJudge, RAKovar, PJMadar, DNimmer, PPark, CPetros, AMRosenberg, SHSmith, MLSong, XSun, CTao, ZFWang, XXiao, YZhang, HTse, CLeverson, JDElmore, SWSouers, AJ Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity. J Med Chem58:2180-94 (2015) [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: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:
MFGLKRNAVIGLNLYCGGAGLGAGSGGATRPGGRLLATEKEASARREIGGGEAGAVIGGS
AGASPPSTLTPDSRRVARPPPIGAEVPDVTATPARLLFFAPTRRAAPLEEMEAPAADAIM
SPEEELDGYEPEPLGKRPAVLPLLELVGESGNNTSTDGSLPSTPPPAEEEEDELYRQSLE
IISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNE
DDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVR
TKRDWLVKQRGWDGFVEFFHVEDLEGGIRNVLLAFAGVAGVGAGLAYLIR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50078159
n/a
NameBDBM50078159
Synonyms:CHEMBL3417700
TypeSmall organic molecule
Emp. Form.C46H52N6O6
Mol. Mass.784.9417
SMILESCC(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCOCC4)c23)cc1 |(-19.84,-16.43,;-19.23,-15.36,;-19.85,-14.29,;-17.68,-15.35,;-16.91,-16.68,;-15.37,-16.67,;-14.6,-15.33,;-15.38,-14,;-16.92,-14.01,;-13.06,-15.32,;-12.28,-16.64,;-10.74,-16.63,;-9.98,-15.29,;-8.44,-15.28,;-7.69,-13.93,;-6.15,-13.92,;-5.26,-12.68,;-3.79,-13.11,;-2.81,-12.36,;-3.77,-14.65,;-5.22,-15.15,;-5.58,-16.33,;-5.74,-11.22,;-7.27,-10.9,;-7.75,-9.44,;-6.72,-8.27,;-5.21,-8.6,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.57,;-1.29,-8.05,;-.35,-8.85,;-1.06,-6.84,;-3.2,-10.04,;-2.28,-11.27,;-.75,-11.09,;.17,-12.33,;1.7,-12.15,;2.62,-13.39,;2.01,-14.8,;.48,-14.98,;-.44,-13.74,;-4.73,-10.05,;-10.76,-13.96,;-12.3,-13.98,)|
Structure
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