Reaction Details
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Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]
Ligand
BDBM449727
Substrate
n/a
Meas. Tech.
AlphaLISA Assay
IC50
0.031±n/a nM
Citation
Chu, H; Guerrero, JA; Hurtley, AE; Hwang, TH; Jiang, L; Kato, D; Kobayashi, T; Knox, JE; Lazerwith, SE; Li, X; Lin, DW; Medley, JW; Mitchell, ML; Naduthambi, D; Newby, Z; Squires, NH; Tsui, VH; Venkataramani, C; Watkins, WJ; Yang, H MCL-1 inhibitors US Patent US10988451 Publication Date 4/27/2021 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:
BDBM449727
Synonyms:
US10703733, Example 340 | US10988451, Example 340 | US11643400, Example 340
Type:
Small organic molecule
Emp. Form.:
C39H49ClN4O6S
Mol. Mass.:
737.348
SMILES:
CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)NC23CC(C)(C2)OC3)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,wU:9.8,wD:9.10,6.6,48.51,45.49,31.43,2.1,t:3,(1.2,6.9,;2.54,6.13,;2.54,4.59,;1.24,3.82,;-.09,4.59,;-1.38,3.82,;-1.38,2.28,;.1,2.68,;-2.68,1.51,;-2.68,-.03,;-3.76,-1.12,;-4.01,.74,;-5.34,-.03,;-5.34,-1.57,;-6.68,.74,;-8.01,-.03,;-8.17,-1.56,;-9.68,-1.88,;-10.3,-3.29,;-9.46,-.36,;-10.45,-.55,;-9.42,.6,;-1.34,-.8,;-.01,-.03,;-.01,1.51,;1.33,-.8,;1.33,-2.34,;2.66,-3.11,;3.99,-2.34,;5.2,-3.3,;6.7,-2.96,;7.37,-1.57,;8.14,-.23,;9.68,-.23,;10.45,-1.57,;9.68,-2.9,;10.45,-4.24,;9.68,-5.57,;10.45,-6.9,;8.14,-5.57,;7.37,-4.24,;8.14,-2.9,;6.7,-.18,;5.2,.16,;5.2,1.51,;3.87,2.28,;2.54,1.51,;2.54,3.05,;3.87,3.82,;3.99,-.8,;2.66,-.03,)|
Structure:
