Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM597103
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:
BDBM597103
Synonyms:
US11596639, Example 710
Type:
Small organic molecule
Emp. Form.:
C42H45Cl2N5O5
Mol. Mass.:
770.743
SMILES:
COCCn1c(cc2cc(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(O)=O |r,wD:15.15,(-.47,9.34,;-.09,7.89,;1.4,7.46,;1.88,6.06,;3.38,5.68,;4.44,6.74,;5.78,5.97,;5.49,4.48,;6.36,3.27,;5.78,1.88,;6.7,.63,;4.24,1.73,;3.38,2.89,;1.84,2.74,;.92,3.99,;-.52,3.85,;-.95,5.25,;-1.2,2.45,;-.28,1.25,;-1.2,,;-.71,-1.44,;.83,-1.83,;1.26,-3.18,;2.75,-3.56,;3.18,-4.96,;4.68,-5.34,;5.11,-6.69,;6.65,-7.03,;4.15,-7.89,;4.63,-9.34,;2.65,-7.56,;1.69,-8.76,;2.22,-6.11,;-2.69,.48,;-3.94,-.29,;-5.24,.43,;-5.24,1.97,;-6.68,2.74,;-3.99,2.74,;-3.99,4.28,;-2.74,5.19,;-1.28,4.71,;-3.22,6.65,;-4.76,6.65,;-5.53,7.99,;-5.23,5.19,;-6.7,4.71,;-2.64,1.97,;1.21,1.4,;2.13,.14,;3.95,4.38,;4.29,8.28,;2.8,8.85,;5.59,9.14,)|
Structure:
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