Reaction Details Report a problem with these data
Target
Polycomb protein EED
Ligand
BDBM223985
Substrate
n/a
Meas. Tech.
ChEMBL_1657638 (CHEMBL4007108)
Ki
12±n/a nM
Citation
 Curtin, ML; Pliushchev, MA; Li, HQ; Torrent, M; Dietrich, JD; Jakob, CG; Zhu, H; Zhao, H; Wang, Y; Ji, Z; Clark, RF; Sarris, KA; Selvaraju, S; Shaw, B; Algire, MA; He, Y; Richardson, PL; Sweis, RF; Sun, C; Chiang, GG; Michaelides, MR SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding. Bioorg Med Chem Lett 27:1576-1583 (2017) [PubMed]  Article 
Target
Name:
Polycomb protein EED
Synonyms:
EED | EED_HUMAN | WAIT-1 | WD protein associating with integrin cytoplasmic tails 1 | hEED
Type:
Protein
Mol. Mass.:
50201.68
Organism:
Homo sapiens (Human)
Description:
O75530
Residue:
441
Sequence:
MSEREVSTAPAGTDMPAAKKQKLSSDENSNPDLSGDENDDAVSIESGTNTERPDTPTNTPNAPGRKSWGKGKWKSKKCKYSFKCVNSLKEDHNQPLFGVQFNWHSKEGDPLVFATVGSNRVTLYECHSQGEIRLLQSYVDADADENFYTCAWTYDSNTSHPLLAVAGSRGIIRIINPITMQCIKHYVGHGNAINELKFHPRDPNLLLSVSKDHALRLWNIQTDTLVAIFGGVEGHRDEVLSADYDLLGEKIMSCGMDHSLKLWRINSKRMMNAIKESYDYNPNKTNRPFISQKIHFPDFSTRDIHRNYVDCVRWLGDLILSKSCENAIVCWKPGKMEDDIDKIKPSESNVTILGRFDYSQCDIWYMRFSMDFWQKMLALGNQVGKLYVWDLEVEDPHKAKCTTLTHHKCGAAIRQTSFSRDSSILIAVCDDASIWRWDRLR
  
Inhibitor
Name:
BDBM223985
Synonyms:
rac-(3R,4S)-1-(2-fluoro-6-methylbenzyl)-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine (2)
Type:
Small organic molecule
Emp. Form.:
C23H28FN3
Mol. Mass.:
365.4869
SMILES:
CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2ccccc12 |r|
Structure:
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