Ki Summary

Reaction Details

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Target

Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]

Ligand

BDBM203870

Substrate/Competitor

n/a

Meas. Tech.

TR-FRET Binding A

7.4±n/a

Temperature

297.15±n/a K

1.2±0 nM

IC50

4.7±0.2 nM

Comments

extracted

Citation

Ak�ay, 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 Biol12:931-936 (2016) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]

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:

EDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQG
MLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPL
AESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGG

BDBM203870

n/a

Name

BDBM203870

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

Type

Small organic molecule

Emp. Form.

C36H34BN3O7

Mol. Mass.

631.482

SMILES

CC(=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