Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T44916 | Target Info | |||
| Target Name | Embryonic ectoderm development protein (EED) | ||||
| Synonyms | hEED; WD protein associating with integrin cytoplasmic tails 1; WAIT-1 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | EED | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | N-Trimethyllysine | Ligand Info | |||
| Canonical SMILES | C[N+](C)(C)CCCCC(C(=O)O)N | ||||
| InChI | 1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1 | ||||
| InChIKey | MXNRLFUSFKVQSK-QMMMGPOBSA-O | ||||
| PubChem Compound ID | 440121 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7TD5 Structure of human PRC2-EZH1 containing phosphorylated SUZ12 | ||||||
| Method | X-ray diffraction | Resolution | 2.99 Å | Mutation | No | [1] |
| PDB Sequence |
SWSHPQFEKC
78 KYSFKCVNSL88 KEDHNQPLFG98 VQFNWHSKEG108 DPLVFATVGS118 NRVTLYECHS 128 QGEIRLLQSY138 VDADADENFY148 TCAWTYDSNT158 SHPLLAVAGS168 RGIIRIINPI 178 TMQCIKHYVG188 HGNAINELKF198 HPRDPNLLLS208 VSKDHALRLW218 NIQTDTLVAI 228 FGGVEGHRDE238 VLSADYDLLG248 EKIMSCGMDH258 SLKLWRINSK268 RMMNAIKESY 278 DYNPNKTNRP288 FISQKIHFPD298 FSTRDIHRNY308 VDCVRWLGDL318 ILSKSCENAI 328 VCWKPGKMED338 DIDKIKPSES348 NVTILGRFDY358 SQCDIWYMRF368 SMDFWQKMLA 378 LGNQVGKLYV388 WDLEVEDPHK398 AKCTTLTHHK408 CGAAIRQTSF418 SRDSSILIAV 428 CDDASIWRWD438 RLR
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| PDB ID: 5LS6 Structure of Human Polycomb Repressive Complex 2 (PRC2) with inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 3.47 Å | Mutation | No | [2] |
| PDB Sequence |
KCKYSFKCVN
86 SLKEDHNQPL96 FGVQFNWHSK106 EGDPLVFATV116 GSNRVTLYEC126 HSQGEIRLLQ 136 SYVDADADEN146 FYTCAWTYDS156 NTSHPLLAVA166 GSRGIIRIIN176 PITMQCIKHY 186 VGHGNAINEL196 KFHPRDPNLL206 LSVSKDHALR216 LWNIQTDTLV226 AIFGGVEGHR 236 DEVLSADYDL246 LGEKIMSCGM256 DHSLKLWRIN266 SKRMMNAIKE276 SYDYNPNKTN 286 RPFISQKIHF296 PDFSTRDIHR306 NYVDCVRWLG316 DLILSKSCEN326 AIVCWKPGKM 336 EDDIDKIKPS346 ESNVTILGRF356 DYSQCDIWYM366 RFSMDFWQKM376 LALGNQVGKL 386 YVWDLEVEDP396 HKAKCTTLTH406 HKCGAAIRQT416 SFSRDSSILI426 AVCDDASIWR 436 WDRLR
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | CK2-mediated phosphorylation of SUZ12 promotes PRC2 function by stabilizing enzyme active site. Nat Commun. 2022 Nov 9;13(1):6781. | ||||
| REF 2 | Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas. J Med Chem. 2016 Nov 10;59(21):9928-9941. | ||||
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