Ki Summary

Reaction Details

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Target

Induced myeloid leukemia cell differentiation protein Mcl-1

Ligand

BDBM451122

Substrate/Competitor

n/a

Meas. Tech.

Exemplary MCL-1 Inhibitors Bind MCL-1

0.022±n/a nM

Citation

Judd, AS; Kunzer, AR; Lai, C; Souers, AJ; Tao, Z; Mastracchio, A; Wang, X; Ji, C; Wendt, MD; Song, X; Doherty, GA; Penning, TD Macrocyclic MCL-1 inhibitors and methods of use US Patent US10676485 Publication Date 6/9/2020

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:

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

BDBM451122

n/a

Name

BDBM451122

Synonyms:

US10676485, Example 32

Type

Small organic molecule

Emp. Form.

C52H60Cl2N6O9S

Mol. Mass.

1016.039

SMILES

CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OCC4COCCO4)c(C[C@@H](Oc4ncnc5sc(C6=CCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1 |r,wU:37.71,6.5,21.21,wD:24.28,t:49,(15.12,6.11,;13.63,5.71,;13.23,4.22,;11.74,3.82,;10.66,4.91,;9.17,4.51,;8.77,3.03,;7.28,2.63,;4.13,5.47,;3.36,4.13,;1.82,4.13,;1.05,2.8,;1.82,1.47,;1.05,.13,;-.49,.13,;-1.26,1.47,;-.49,2.8,;-1.26,4.13,;-2.8,4.13,;-3.57,2.8,;-2.8,1.47,;-5.11,2.8,;-5.88,1.47,;-7.42,1.47,;-8.19,2.8,;-7.42,4.13,;-5.88,4.13,;-9.73,2.8,;-10.5,1.47,;-12.04,1.47,;-12.81,.13,;-14.35,.13,;-15.12,1.47,;-14.35,2.8,;-12.81,2.8,;3.36,1.47,;4.13,.13,;4.13,-1.41,;5.47,-2.18,;5.47,-3.72,;4.13,-4.49,;4.13,-6.03,;5.47,-6.8,;6.8,-6.03,;8.26,-6.5,;9.17,-5.26,;10.71,-5.26,;11.61,-4.01,;13.08,-4.49,;13.08,-6.03,;11.61,-6.5,;8.26,-4.01,;8.66,-2.53,;7.57,-1.44,;6.09,-1.04,;7.97,.05,;6.88,1.14,;9.46,.45,;9.86,1.94,;10.55,-.64,;12.04,-.24,;10.15,-2.13,;11.24,-3.22,;6.8,-4.49,;2.8,-2.18,;1.46,-1.41,;2.8,-3.72,;4.13,2.8,;11.05,6.4,;12.54,6.8,)|

Structure