Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM597105
Substrate
n/a
Meas. Tech.
TR-FRET Binding Assay
Ki
<0.200±n/a nM
Citation
 Lee, T; Tarr, JC; Jeon, K; Salovich, JM; Shaw, S; Veerasamy, N; Kim, K; Christov, PP; Olejniczak, ET; Zhao, B; Fesik, SW; Bian, Z Substituted indole Mcl-1 inhibitors US Patent  US11596639 Publication Date 3/7/2023 
Target
Name:
Induced myeloid leukemia cell differentiation protein Mcl-1
Synonyms:
BCL2L3 | Bcl-2-like protein 3 | Bcl-2-like protein 3 (Mcl-1) | Bcl-2-related protein EAT/mcl1 | Bcl2-L-3 | Induced myeloid leukemia cell differentiation protein (Mcl-1) | MCL1 | MCL1_HUMAN | Mcl-1 | Myeloid Cell factor-1 (Mcl-1) | Myeloid cell leukemia sequence 1 (BCL2-related) | mcl1/EAT
Type:
Membrane; Single-pass membrane protein
Mol. Mass.:
37332.87
Organism:
Homo sapiens (Human)
Description:
Q07820
Residue:
350
Sequence:
MFGLKRNAVIGLNLYCGGAGLGAGSGGATRPGGRLLATEKEASARREIGGGEAGAVIGGSAGASPPSTLTPDSRRVARPPPIGAEVPDVTATPARLLFFAPTRRAAPLEEMEAPAADAIMSPEEELDGYEPEPLGKRPAVLPLLELVGESGNNTSTDGSLPSTPPPAEEEEDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGGIRNVLLAFAGVAGVGAGLAYLIR
  
Inhibitor
Name:
BDBM597105
Synonyms:
US11596639, Example 712
Type:
Small organic molecule
Emp. Form.:
C42H45Cl2N5O6
Mol. Mass.:
786.743
SMILES:
COCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(C)c(cc2c1)C(O)=O |r,wD:10.10,(8.07,-2.99,;7.14,-1.76,;5.61,-1.93,;4.7,-.69,;5.32,.72,;4.41,1.97,;2.87,1.83,;2,2.98,;.46,2.84,;-.45,4.09,;-1.89,3.95,;-2.33,5.34,;-2.57,2.55,;-1.65,1.35,;-2.57,.1,;-2.09,-1.35,;-.55,-1.73,;-.11,-3.08,;1.38,-3.46,;1.81,-4.86,;3.3,-5.25,;3.74,-6.59,;5.28,-6.93,;2.77,-7.8,;3.25,-9.24,;1.28,-7.46,;.32,-8.66,;.85,-6.02,;-4.06,.58,;-5.31,-.19,;-6.61,.53,;-6.61,2.07,;-8.05,2.84,;-5.36,2.84,;-5.36,4.38,;-4.11,5.28,;-2.65,4.81,;-4.59,6.75,;-6.13,6.75,;-6.9,8.08,;-6.61,5.28,;-8.07,4.81,;-4.01,2.07,;-.16,1.49,;.75,.24,;2.58,4.48,;2,5.77,;.51,6.16,;3.06,6.83,;4.41,6.06,;4.12,4.57,;4.99,3.37,;2.92,8.37,;1.43,8.95,;4.22,9.24,)|
Structure:
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