Reaction Details
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Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]
Ligand
BDBM203871
Substrate
n/a
Meas. Tech.
TR-FRET Binding A
pH
7.4±n/a
Temperature
297.15±n/a K
Ki
16±0 nM
IC50
59.5±9.2 nM
Comments
extracted
Citation
Akçay, G; Belmonte, MA; Aquila, B; Chuaqui, C; Hird, AW; Lamb, ML; Rawlins, PB; Su, N; Tentarelli, S; Grimster, NP; Su, 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.:
Target
Name:
Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]
Synonyms:
BCL2L3 | Induced myeloid leukemia cell differentiation protein Mcl-1(171-327) | MCL1 | MCL1_HUMAN | Myeloid cell leukemia 1 (Mcl-1)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
17896.13
Organism:
Homo sapiens (Human)
Description:
Q07820[171-327]
Residue:
157
Sequence:
EDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGG
Inhibitor
Name:
BDBM203871
Synonyms:
7-(3-((3-formylphenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid, 7 | Mcl-1 inhibitor 7
Type:
Small organic molecule
Emp. Form.:
C35H31N3O5
Mol. Mass.:
573.6377
SMILES:
Cc1c(c(COc2cccc(C=O)c2)nn1C)-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O |(.05,-1.8,;-1.28,-2.57,;-2.53,-1.66,;-3.78,-2.57,;-5.11,-1.8,;-6.2,-2.88,;-7.53,-2.11,;-7.53,-.57,;-8.87,.2,;-10.2,-.57,;-10.2,-2.11,;-11.53,-2.88,;-10.76,-4.22,;-8.87,-2.88,;-3.3,-4.03,;-1.76,-4.03,;-.67,-5.12,;-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,)|
Structure:
