Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM544485
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.580±n/a nM
Citation
 Ferrara, SJ; Serrano-Wu, MH; Lemke, C; McKinney, D; Fitzgerald, M; Nasveschuk, C; Lazarski, K; Furst, L; Wei, G; McCarren, PR; Thede, K; Mengel, A; Christ, C; Kuhnke, J; Johannes, SA; Buchgraber, P; Klar, U; Sack, U; Kaulfuss, S; Fernandez-Montalvan, AE; Werbeck, N; Mönning, U Macrocyclic fluorine substituted indole derivatives US Patent  US11286263 Publication Date 3/29/2022 
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:
Human
Description:
Q07820
Residue:
350
Sequence:
MFGLKRNAVIGLNLYCGGAGLGAGSGGATRPGGRLLATEKEASARREIGGGEAGAVIGGSAGASPPSTLTPDSRRVARPPPIGAEVPDVTATPARLLFFAPTRRAAPLEEMEAPAADAIMSPEEELDGYEPEPLGKRPAVLPLLELVGESGNNTSTDGSLPSTPPPAEEEEDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGGIRNVLLAFAGVAGVGAGLAYLIR
  
Inhibitor
Name:
BDBM544485
Synonyms:
(rac)-12-ethyl-13-fluoro-1-(3-((6-fluoronaphthalen-1-yl)oxy)propyl)-11-methyl-4,5,6,7,9,11-hexahydropyrazolo[4′,3′:9,10][1]oxa[6]azacycloundecino[8,7,6-hi]indole-2-carboxylic acid | US11286263, Example 21 | US11286263, Example 22 | US11286263, Example 23 | US11286263, Example 24 | US11286263, Example 25
Type:
Small organic molecule
Emp. Form.:
C33H33F2N3O4
Mol. Mass.:
573.6296
SMILES:
CCc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(F)c-2c34)nn1C
Structure:
Search PDB for entries with ligand similarity: