Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM597002
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:
BDBM597002
Synonyms:
US11596639, Example 600
Type:
Small organic molecule
Emp. Form.:
C48H47Cl2N7O5
Mol. Mass.:
872.837
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)C3=NCCO3)c12 |r,wD:1.0,t:62,(-.45,3.48,;-.45,1.94,;1.09,1.94,;1.86,.61,;1.09,-.64,;1.86,-1.98,;-.32,-.63,;-1.23,-1.88,;-.83,-3.37,;.66,-3.77,;1.08,-5.25,;2.57,-5.65,;2.95,-7.14,;4.44,-7.54,;4.84,-9.02,;6.34,-9.36,;3.75,-10.11,;4.15,-11.6,;2.26,-9.71,;1.18,-10.81,;1.86,-8.23,;-2.69,-1.4,;-4.02,-2.17,;-5.36,-1.4,;-5.36,.14,;-6.74,.83,;-4.02,.91,;-3.97,2.45,;-5.21,3.35,;-6.65,2.79,;-4.74,4.82,;-3.2,4.82,;-2.34,6.1,;-2.72,3.35,;-1.25,2.9,;-2.69,.14,;-1.22,.61,;3.39,.72,;4.3,-.53,;5.83,-.36,;6.74,-1.61,;6.46,1.04,;5.55,2.29,;5.87,3.79,;4.54,4.56,;4.42,6.1,;5.69,6.97,;3.02,6.74,;3.39,3.53,;1.89,3.88,;1.11,5.21,;1.88,6.54,;1.11,7.87,;-.43,7.87,;-1.2,6.54,;-.43,5.21,;1.84,9.23,;3.38,9.23,;3.86,10.69,;2.61,11.6,;1.37,10.69,;4.02,2.13,)|
Structure:
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