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TargetMyeloid cell leukemia 1 (Mcl-1)
LigandBDBM203870
Substrate/Competitorn/a
Meas. Tech.TR-FRET Binding A
pH7.4±n/a
Temperature297.15±n/a K
Ki 1.2±0 nM
IC50 4.7±0.2 nM
Commentsextracted
Citation Akçay GBelmonte MAAquila BChuaqui CHird AWLamb MLRawlins PBSu NTentarelli SGrimster NPSu Q Inhibition of Mcl-1 through covalent modification of a noncatalytic lysine side chain. Nat Chem Biol 12:931-936 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Myeloid cell leukemia 1 (Mcl-1)
Name:Myeloid cell leukemia 1 (Mcl-1)
Synonyms:n/a
Type:n/a
Mol. Mass.:17896.13
Organism:Homo sapiens (Human)
Description:n/a
Residue:157
Sequence:
EDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQG
MLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPL
AESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGG
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BDBM203870
n/a
NameBDBM203870
Synonyms:7-(3-((3-Acetyl-4-boronophenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid, 6 | Mcl-1 inhibitor 6
TypeSmall organic molecule
Emp. Form.C36H34BN3O7
Mol. Mass.631.482
SMILESCC(=O)c1cc(OCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c([nH]c23)C(O)=O)ccc1B(O)O |(-13.02,-2.49,;-11.53,-2.88,;-12.16,-4.44,;-10.2,-2.11,;-8.87,-2.88,;-7.53,-2.11,;-6.2,-2.88,;-5.11,-1.8,;-3.78,-2.57,;-3.3,-4.03,;-1.76,-4.03,;-.67,-5.12,;-1.28,-2.57,;.05,-1.8,;-2.53,-1.66,;-2.48,-.6,;-3.81,.17,;-3.81,1.71,;-2.48,2.48,;-1.14,1.71,;.32,2.18,;-.08,3.67,;1.01,4.76,;.62,6.24,;1.7,7.33,;1.31,8.82,;-.03,9.59,;-.03,11.13,;1.31,11.9,;2.64,11.13,;3.97,11.9,;5.31,11.13,;5.31,9.59,;3.97,8.82,;2.64,9.59,;1.23,.94,;.32,-.31,;-1.14,.17,;2.77,.94,;3.86,-.15,;3.86,2.02,;-7.53,-.57,;-8.87,.2,;-10.2,-.57,;-11.29,.51,;-10.89,2,;-12.78,.91,)|
Structure
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