Ki Summary

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Target

Induced myeloid leukemia cell differentiation protein Mcl-1

Ligand

BDBM451129

Substrate/Competitor

n/a

Meas. Tech.

Exemplary MCL-1 Inhibitors Bind MCL-1

0.004±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

BDBM451129

n/a

Name

BDBM451129

Synonyms:

US10676485, Example 39

Type

Small organic molecule

Emp. Form.

C54H58Cl2F2N6O9S

Mol. Mass.

1076.041

SMILES

CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@](F)(COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r,wU:29.29,24.26,6.5,39.75,wD:21.21,24.25,(-15.71,-6.12,;-14.23,-5.72,;-13.83,-4.23,;-12.34,-3.83,;-11.25,-4.92,;-9.76,-4.52,;-9.36,-3.03,;-7.88,-2.63,;-7.48,-1.15,;-5.99,-1.55,;-5.59,-3.03,;-4.1,-3.43,;-3.02,-2.34,;-1.53,-2.74,;.01,-2.74,;.78,-1.41,;.01,-.07,;.78,1.26,;2.32,1.26,;3.09,-.07,;2.32,-1.41,;4.63,-.07,;5.4,-1.41,;6.94,-1.41,;7.71,-.07,;8.48,1.26,;9.05,-.84,;10.38,-.07,;11.71,-.84,;13.05,-.07,;13.05,1.47,;14.38,2.24,;15.71,1.47,;15.71,-.07,;14.38,-.84,;6.94,1.26,;5.4,1.26,;-3.41,-.86,;-2.33,.23,;-2.71,1.94,;-4.2,2.34,;-4.59,3.83,;-3.51,4.92,;-3.9,6.41,;-5.39,6.81,;-6.48,5.72,;-8.02,5.8,;-8.57,4.36,;-7.37,3.39,;-8.14,2.06,;-9.68,2.06,;-10.45,3.39,;-10.45,.72,;-11.99,.72,;-9.68,-.61,;-10.45,-1.94,;-8.14,-.61,;-8.91,-1.94,;-7.37,.72,;-6.04,1.49,;-6.08,4.23,;-10.06,4.76,;-10.46,6.25,;-11.94,6.64,;-13.03,5.56,;-14.52,5.95,;-12.63,4.07,;-11.15,3.67,;-1.62,3.03,;-.13,2.63,;-2.02,4.52,;-4.9,-.46,;-11.65,-6.41,;-13.14,-6.81,)|

Structure