Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM596956
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:
BDBM596956
Synonyms:
US11596639, Example 553
Type:
Small organic molecule
Emp. Form.:
C49H52Cl2N8O4
Mol. Mass.:
887.894
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(C)cc2cc(C(O)=O)n(Cc3cc(ccn3)N3CCNCC3)c12 |r,wD:1.0,(-.62,3.09,;-.62,1.55,;.91,1.71,;1.82,.46,;1.19,-.94,;2.08,-2.2,;-.34,-1.11,;-1.25,-2.35,;-.78,-3.82,;.73,-4.15,;1.22,-5.61,;2.72,-5.94,;3.21,-7.4,;4.72,-7.66,;5.25,-9.11,;6.76,-9.43,;4.26,-10.29,;4.73,-11.76,;2.74,-10.02,;1.78,-11.22,;2.22,-8.58,;-2.71,-1.87,;-4.05,-2.65,;-5.38,-1.87,;-5.38,-.33,;-6.75,.37,;-4.05,.43,;-4.05,1.97,;-5.29,2.88,;-6.76,2.4,;-4.82,4.34,;-3.28,4.34,;-2.51,5.68,;-2.8,2.88,;-1.34,2.4,;-2.71,-.33,;-1.25,.14,;3.35,.61,;4.24,-.64,;5.78,-.5,;6.67,-1.75,;6.41,.91,;5.52,2.16,;5.85,3.66,;4.52,4.44,;4.38,5.98,;5.63,6.87,;2.97,6.61,;3.37,3.42,;1.87,3.75,;1.1,5.09,;1.87,6.42,;1.1,7.76,;-.44,7.76,;-1.21,6.42,;-.44,5.09,;1.87,9.09,;3.41,9.09,;4.18,10.42,;3.41,11.76,;1.87,11.76,;1.1,10.42,;3.99,2.01,)|
Structure:
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