Reaction Details Report a problem with these data
Target
Polycomb protein EED
Ligand
BDBM223987
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Temperature
296.15±0 K
IC50
18±2 nM
Citation
He, Y; Selvaraju, S; Curtin, ML; Jakob, CG; Zhu, H; Comess, KM; Shaw, B; The, J; Lima-Fernandes, E; Szewczyk, MM; Cheng, D; Klinge, KL; Li, HQ; Pliushchev, M; Algire, MA; Maag, D; Guo, J; Dietrich, J; Panchal, SC; Petros, AM; Sweis, RF; Torrent, M; Bigelow, LJ; Senisterra, G; Li, F; Kennedy, S; Wu, Q; Osterling, DJ; Lindley, DJ; Gao, W; Galasinski, S; Barsyte-Lovejoy, D; Vedadi, M; Buchanan, FG; Arrowsmith, CH; Chiang, GG; Sun, C; Pappano, WN The EED protein-protein interaction inhibitor A-395 inactivates the PRC2 complex. Nat Chem Biol 13:389-395 (2017) [PubMed] Article
More Info.:
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:
BDBM223987
Synonyms:
A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N-dimethyl-4-(4-(4-(methylsulfonyl)piperazin-1-yl)phenyl)pyrrolidin-3-amine (4)
Type:
Small organic molecule
Emp. Form.:
C26H35FN4O2S
Mol. Mass.:
486.645
SMILES:
CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r,w:24.26|