Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM596976
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:
BDBM596976
Synonyms:
US11596639, Example 573
Type:
Small organic molecule
Emp. Form.:
C48H48Cl2N6O6
Mol. Mass.:
875.837
SMILES:
COCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)ncnc5C)c34)C2=O)c2n(Cc3cc(C)ccn3)c(cc2c1)C(O)=O |r,wD:10.10,(6.97,-5.73,;6.07,-4.47,;6.71,-3.07,;5.81,-1.82,;6.45,-.42,;5.56,.84,;4.02,.69,;3.13,1.94,;1.6,1.8,;.69,3.04,;-.84,2.88,;-.84,4.42,;-1.47,1.47,;-.56,.23,;-1.47,-1.02,;-.99,-2.48,;.51,-2.81,;1,-4.27,;2.5,-4.6,;2.99,-6.06,;4.51,-6.33,;5.03,-7.78,;6.54,-8.1,;4.04,-8.96,;4.51,-10.42,;2.52,-8.69,;1.56,-9.89,;2,-7.24,;-2.93,-.54,;-4.26,-1.31,;-5.6,-.54,;-5.6,1,;-6.97,1.71,;-4.26,1.77,;-4.26,3.31,;-2.93,4.08,;-1.6,3.31,;-2.93,5.62,;-4.26,6.39,;-5.6,5.62,;-5.6,4.08,;-6.93,3.31,;-2.93,1,;.97,.39,;1.87,-.86,;3.77,3.34,;3.15,4.76,;1.65,5.09,;.88,6.42,;1.65,7.76,;.88,9.09,;1.65,10.42,;-.66,9.09,;-1.43,7.76,;-.66,6.42,;4.31,5.78,;5.63,5,;5.3,3.49,;6.2,2.24,;4.16,7.31,;5.41,8.2,;2.76,7.95,)|
Structure:
Search PDB for entries with ligand similarity: