Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM596994
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:
BDBM596994
Synonyms:
US11596639, Example 591
Type:
Small organic molecule
Emp. Form.:
C44H46Cl2N6O6
Mol. Mass.:
825.779
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(cc2cc(C(O)=O)n(C)c12)C(=O)N1CCOCC1 |r,wD:1.0,(-2.87,5.53,;-2.87,3.99,;-1.34,4.15,;-.44,2.91,;-1.06,1.5,;-.17,.25,;-2.59,1.34,;-3.5,.09,;-3.03,-1.37,;-1.52,-1.7,;-1.04,-3.16,;.47,-3.49,;.96,-4.95,;2.47,-5.22,;3,-6.67,;4.51,-6.99,;2.01,-7.85,;2.48,-9.31,;.49,-7.58,;-.48,-8.78,;-.03,-6.13,;-4.96,.57,;-6.3,-.2,;-7.63,.57,;-7.63,2.11,;-9,2.81,;-6.3,2.88,;-6.3,4.42,;-7.54,5.32,;-9.01,4.85,;-7.07,6.79,;-5.53,6.79,;-4.76,8.12,;-5.05,5.32,;-3.59,4.85,;-4.96,2.11,;-3.5,2.58,;1.1,3.05,;1.99,1.8,;3.52,1.95,;4.16,3.35,;3.27,4.6,;3.6,6.11,;2.27,6.89,;2.12,8.42,;3.38,9.31,;.72,9.06,;1.12,5.87,;-.38,6.2,;1.73,4.45,;4.42,.69,;3.78,-.71,;5.95,.84,;6.88,-.39,;8.41,-.2,;9.01,1.22,;8.08,2.45,;6.55,2.26,)|
Structure:
Search PDB for entries with ligand similarity: