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-(Furan-2-Ylmethyl)-8-(4-Methylsulfonylphenyl)-[1,2,4]triazolo[4,3-C]pyrimidin-5-Amine | Ligand Info | |||
| Canonical SMILES | CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 | ||||
| InChI | 1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19) | ||||
| InChIKey | DYIRSNMPIZZNBK-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 123132228 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5GSA EED in complex with an allosteric PRC2 inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.49 Å | Mutation | No | [1] |
| PDB Sequence |
CKYSFKCVNS
87 LKEDHNQPLF97 GVQFNWHSKE107 GDPLVFATVG117 SNRVTLYECH127 SQGEIRLLQS 137 YVDADADENF147 YTCAWTYDSN157 TSHPLLAVAG167 SRGIIRIINP177 ITMQCIKHYV 187 GHGNAINELK197 FHPRDPNLLL207 SVSKDHALRL217 WNIQTDTLVA227 IFGGVEGHRD 237 EVLSADYDLL247 GEKIMSCGMD257 HSLKLWRINS267 KRMMNAIKES277 YDYNPRPFIS 291 QKIHFPDFST301 RDIHRNYVDC311 VRWLGDLILS321 KSCENAIVCW331 KPGKMEDDID 341 KIKPSESNVT351 ILGRFDYSQC361 DIWYMRFSMD371 FWQKMLALGN381 QVGKLYVWDL 391 EVEDPHKAKC401 TTLTHHKCGA411 AIRQTSFSRD421 SSILIAVCDD431 ASIWRWDRL |
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| PDB ID: 5WUK Crystal structure of EED [G255D] in complex with EZH2 peptide and EED226 compound | ||||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | Yes | [2] |
| PDB Sequence |
KKCKYSFKCV
85 NSLKEDHNQP95 LFGVQFNWHS105 KEGDPLVFAT115 VGSNRVTLYE125 CHSQGEIRLL 135 QSYVDADADE145 NFYTCAWTYD155 SNTSHPLLAV165 AGSRGIIRII175 NPITMQCIKH 185 YVGHGNAINE195 LKFHPRDPNL205 LLSVSKDHAL215 RLWNIQTDTL225 VAIFGGVEGH 235 RDEVLSADYD245 LLGEKIMSCD255 MDHSLKLWRI265 NSKRMMNAIK275 ESYDYNPNKT 285 NRPFISQKIH295 FPDFSTRDIH305 RNYVDCVRWL315 GDLILSKSCE325 NAIVCWKPGK 335 MEDDIDKIKP345 SESNVTILGR355 FDYSQCDIWY365 MRFSMDFWQK375 MLALGNQVGK 385 LYVWDLEVED395 PHKAKCTTLT405 HHKCGAAIRQ415 TSFSRDSSIL425 IAVCDDASIW 435 RWDRLR
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of EED. Nat Chem Biol. 2017 Apr;13(4):381-388. | ||||
| REF 2 | Split luciferase-based biosensors for characterizing EED binders. Anal Biochem. 2017 Apr 1;522:37-45. | ||||
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