Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM597098
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:
BDBM597098
Synonyms:
US11596639, Example 697
Type:
Small organic molecule
Emp. Form.:
C40H39Cl2N5O6
Mol. Mass.:
756.674
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)=O |r,wD:1.0,(-1.38,5.49,;-1.38,3.95,;.15,4.11,;1.06,2.86,;.43,1.45,;1.32,.2,;-1.1,1.29,;-2.01,.05,;-1.53,-1.42,;-.03,-1.75,;.46,-3.21,;1.96,-3.54,;2.45,-5,;3.97,-5.27,;4.49,-6.71,;6,-7.03,;3.5,-7.89,;3.97,-9.36,;1.98,-7.62,;1.02,-8.82,;1.46,-6.18,;-3.47,.52,;-4.81,-.25,;-6.14,.52,;-6.14,2.06,;-7.51,2.77,;-4.81,2.83,;-4.81,4.37,;-6.05,5.28,;-7.52,4.8,;-5.58,6.74,;-4.04,6.74,;-3.27,8.08,;-3.56,5.28,;-2.09,4.8,;-3.47,2.06,;-2.01,2.54,;2.59,3.02,;3.52,1.8,;5.05,2,;5.64,3.42,;4.7,4.65,;4.99,6.16,;3.63,6.89,;3.43,8.42,;4.65,9.36,;2.01,9.01,;2.52,5.84,;1,6.12,;3.18,4.44,;5.99,.78,;5.4,-.64,;7.52,.98,)|
Structure:
Search PDB for entries with ligand similarity: