Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM597071
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:
BDBM597071
Synonyms:
US11596639, Example 670
Type:
Small organic molecule
Emp. Form.:
C45H44Cl2N10O2
Mol. Mass.:
827.803
SMILES:
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2ncn(n2)-c2nccc(C)n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.81,3.26,;-.81,1.72,;.72,1.88,;1.63,.64,;3.16,.8,;4.22,-.32,;5.61,.34,;6.94,-.43,;5.41,1.87,;6.41,3.04,;5.9,4.49,;4.38,4.77,;3.38,3.6,;3.9,2.15,;3.87,6.23,;4.77,7.47,;3.87,8.72,;2.4,8.24,;2.4,6.7,;1.16,9.15,;1.32,10.68,;.07,11.58,;-1.33,10.96,;-1.49,9.43,;-2.9,8.8,;-.25,8.52,;1,-.77,;1.9,-2.02,;-.53,-.93,;-1.43,-2.18,;-.96,-3.64,;.54,-3.97,;1.03,-5.43,;2.53,-5.76,;3.02,-7.22,;4.54,-7.49,;5.06,-8.94,;6.57,-9.26,;4.07,-10.12,;4.55,-11.58,;2.56,-9.85,;1.59,-11.05,;2.03,-8.4,;-2.9,-1.7,;-4.23,-2.47,;-5.57,-1.7,;-5.57,-.16,;-6.94,.55,;-4.23,.61,;-4.23,2.15,;-5.48,3.05,;-6.94,2.58,;-5,4.52,;-3.46,4.52,;-2.69,5.85,;-2.99,3.05,;-1.52,2.58,;-2.9,-.16,;-1.43,.31,)|
Structure:
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