Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM596993
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:
BDBM596993
Synonyms:
US11596639, Example 590
Type:
Small organic molecule
Emp. Form.:
C48H51Cl2N7O5
Mol. Mass.:
876.868
SMILES:
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OCCN(C)C)cc2cc(C(O)=O)n(Cc3ccccn3)c12 |r,wD:1.0,(-1.92,5.09,;-1.92,3.55,;-.39,3.71,;.52,2.46,;-.11,1.06,;.78,-.2,;-1.64,.9,;-2.55,-.35,;-2.07,-1.82,;-.57,-2.15,;-.08,-3.61,;1.42,-3.94,;1.91,-5.4,;3.42,-5.66,;3.95,-7.11,;5.46,-7.43,;2.96,-8.29,;3.43,-9.76,;1.44,-8.02,;.48,-9.22,;.92,-6.58,;-4.01,.13,;-5.35,-.64,;-6.68,.13,;-6.68,1.67,;-8.05,2.37,;-5.35,2.44,;-5.35,3.98,;-6.59,4.88,;-8.06,4.4,;-6.12,6.35,;-4.58,6.35,;-3.81,7.68,;-4.1,4.88,;-2.64,4.4,;-4.01,1.67,;-2.55,2.14,;2.05,2.61,;2.94,1.36,;4.48,1.5,;5.37,.25,;6.9,.4,;7.8,-.85,;7.16,-2.26,;5.63,-2.4,;8.06,-3.51,;5.11,2.91,;4.22,4.16,;4.55,5.66,;3.23,6.44,;3.08,7.98,;4.33,8.87,;1.67,8.61,;2.07,5.42,;.57,5.76,;-.2,7.09,;.57,8.42,;-.2,9.76,;-1.74,9.76,;-2.51,8.42,;-1.74,7.09,;2.69,4.01,)|
Structure:
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