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TargetMyeloid cell leukemia 1 (Mcl-1)
LigandBDBM203876
Substrate/Competitorn/a
Meas. Tech.TR-FRET Binding A
pH7.4±n/a
Temperature297.15±n/a K
Ki 1.6±0 nM
IC50 5.96±0.35 nM
Commentsextracted
Citation AkÁay 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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  Blast E-value cutoff:
BDBM203876
n/a
NameBDBM203876
Synonyms:Mcl-1 inhibitor 12
TypeSmall organic molecule
Emp. Form.C36H42N4O4
Mol. Mass.594.7431
SMILESCCc1nn(C)c(CC)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12 |(-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,;-.02,-2.6,;.3,-4.24,;-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,;2.77,.94,;3.86,-.15,;3.86,2.02,;.32,-.31,;1.22,-1.52,;2.76,-1.52,;3.16,-3.01,;1.82,-3.78,;1.82,-5.32,;3.16,-6.09,;4.49,-5.32,;4.49,-3.78,;-1.14,.17,)|
Structure
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