Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHistone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2
LigandBDBM225230
Substrate/CompetitorNucleosome
Meas. Tech.PRC2 Biochemical Assay
pH8±n/a
IC50 53.5±0.0 nM
Commentsextracted
Citation Qi, WZhao, KGu, JHuang, YWang, YZhang, HZhang, MZhang, JYu, ZLi, LTeng, LChuai, SZhang, CZhao, MChan, HChen, ZFang, DFei, QFeng, LFeng, LGao, YGe, HGe, XLi, GLingel, ALin, YLiu, YLuo, FShi, MWang, LWang, ZYu, YZeng, JZeng, CZhang, LZhang, QZhou, SOyang, CAtadja, PLi, E An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of EED. Nat Chem Biol13:381-388 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2
Name:Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2
Synonyms:EZH2/PRC2 | Polycomb repressive complex 2 (PRC2)
Type:Protein
Mol. Mass.:n/a
Description:Human five-member PRC2 complex (EZH2/EED/SUZ12/AEBP2/RBAP48)
Components:This complex has 5 components.
Component 1
Name:Histone-lysine N-methyltransferase EZH2
Synonyms:Enhancer of zeste homolog 2 (EZH2)
Type:Protein
Mol. Mass.:86024.60
Organism:Homo sapiens (Human)
Description:Q15910-2
Residue:751
Sequence:
MGQTGKKSEKGPVCWRKRVKSEYMRLRQLKRFRRADEVKSMFSSNRQKILERTEILNQEW
KQRRIQPVHILTSVSSLRGTRECSVTSDLDFPTQVIPLKTLNAVASVPIMYSWSPLQQNF
MVEDETVLHNIPYMGDEVLDQDGTFIEELIKNYDGKVHGDRECGFINDEIFVELVNALGQ
YNDDDDDDDGDDPEEREEKQKDLEDHRDDKESRPPRKFPSDKIFEAISSMFPDKGTAEEL
KEKYKELTEQQLPGALPPECTPNIDGPNAKSVQREQSLHSFHTLFCRRCFKYDCFLHRKC
NYSFHATPNTYKRKNTETALDNKPCGPQCYQHLEGAKEFAAALTAERIKTPPKRPGGRRR
GRLPNNSSRPSTPTINVLESKDTDSDREAGTETGGENNDKEEEEKKDETSSSSEANSRCQ
TPIKMKPNIEPPENVEWSGAEASMFRVLIGTYYDNFCAIARLIGTKTCRQVYEFRVKESS
IIAPAPAEDVDTPPRKKKRKHRLWAAHCRKIQLKKDGSSNHVYNYQPCDHPRQPCDSSCP
CVIAQNFCEKFCQCSSECQNRFPGCRCKAQCNTKQCPCYLAVRECDPDLCLTCGAADHWD
SKNVSCKNCSIQRGSKKHLLLAPSDVAGWGIFIKDPVQKNEFISEYCGEIISQDEADRRG
KVYDKYMCSFLFNLNNDFVVDATRKGNKIRFANHSVNPNCYAKVMMVNGDHRIGIFAKRA
IQTGEELFFDYRYSQADALKYVGIEREMEIP
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
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:
MSEREVSTAPAGTDMPAAKKQKLSSDENSNPDLSGDENDDAVSIESGTNTERPDTPTNTP
NAPGRKSWGKGKWKSKKCKYSFKCVNSLKEDHNQPLFGVQFNWHSKEGDPLVFATVGSNR
VTLYECHSQGEIRLLQSYVDADADENFYTCAWTYDSNTSHPLLAVAGSRGIIRIINPITM
QCIKHYVGHGNAINELKFHPRDPNLLLSVSKDHALRLWNIQTDTLVAIFGGVEGHRDEVL
SADYDLLGEKIMSCGMDHSLKLWRINSKRMMNAIKESYDYNPNKTNRPFISQKIHFPDFS
TRDIHRNYVDCVRWLGDLILSKSCENAIVCWKPGKMEDDIDKIKPSESNVTILGRFDYSQ
CDIWYMRFSMDFWQKMLALGNQVGKLYVWDLEVEDPHKAKCTTLTHHKCGAAIRQTSFSR
DSSILIAVCDDASIWRWDRLR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 3
Name:Polycomb protein SUZ12
Synonyms:CHET9 | ChET 9 protein | Chromatin precipitated E2F target 9 protein | JJAZ1 | Joined to JAZF1 protein | KIAA0160 | Polycomb protein SUZ12 | Polycomb protein SUZ12 (SUZ12) | SUZ12 | SUZ12_HUMAN | Suppressor of zeste 12 protein homolog
Type:Protein
Mol. Mass.:83080.09
Organism:Homo sapiens (Human)
Description:Q15022
Residue:739
Sequence:
MAPQKHGGGGGGGSGPSAGSGGGGFGGSAAVAAATASGGKSGGGSCGGGGSYSASSSSSA
AAAAGAAVLPVKKPKMEHVQADHELFLQAFEKPTQIYRFLRTRNLIAPIFLHRTLTYMSH
RNSRTNIKRKTFKVDDMLSKVEKMKGEQESHSLSAHLQLTFTGFFHKNDKPSPNSENEQN
SVTLEVLLVKVCHKKRKDVSCPIRQVPTGKKQVPLNPDLNQTKPGNFPSLAVSSNEFEPS
NSHMVKSYSLLFRVTRPGRREFNGMINGETNENIDVNEELPARRKRNREDGEKTFVAQMT
VFDKNRRLQLLDGEYEVAMQEMEECPISKKRATWETILDGKRLPPFETFSQGPTLQFTLR
WTGETNDKSTAPIAKPLATRNSESLHQENKPGSVKPTQTIAVKESLTTDLQTRKEKDTPN
ENRQKLRIFYQFLYNNNTRQQTEARDDLHCPWCTLNCRKLYSLLKHLKLCHSRFIFNYVY
HPKGARIDVSINECYDGSYAGNPQDIHRQPGFAFSRNGPVKRTPITHILVCRPKRTKASM
SEFLESEDGEVEQQRTYSSGHNRLYFHSDTCLPLRPQEMEVDSEDEKDPEWLREKTITQI
EEFSDVNEGEKEVMKLWNLHVMKHGFIADNQMNHACMLFVENYGQKIIKKNLCRNFMLHL
VSMHDFNLISIMSIDKAVTKLREMQQKLEKGESASPANEEITEEQNGTANGFSEINSKEK
ALETDSVSGVSKQSKKQKL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 4
Name:Zinc finger protein AEBP2
Synonyms:AEBP2 | AEBP2_HUMAN | Adipocyte enhancer-binding protein 2 (AEBP2) | Zinc finger protein AEBP2
Type:Protein
Mol. Mass.:54448.84
Organism:Homo sapiens (Human)
Description:Q6ZN18
Residue:517
Sequence:
MAAAITDMADLEELSRLSPLPPGSPGSAARGRAEPPEEEEEEEEEEEEAEAEAVAALLLN
GGSGGGGGGGGGGVGGGEAETMSEPSPESASQAGEDEDEEEDDEEEEDESSSSGGGEEES
SAESLVGSSGGSSSDETRSLSPGAASSSSGDGDGKEGLEEPKGPRGSQGGGGGGSSSSSV
VSSGGDEGYGTGGGGSSATSGGRRGSLEMSSDGEPLSRMDSEDSISSTIMDVDSTISSGR
STPAMMNGQGSTTSSSKNIAYNCCWDQCQACFNSSPDLADHIRSIHVDGQRGGVFVCLWK
GCKVYNTPSTSQSWLQRHMLTHSGDKPFKCVVGGCNASFASQGGLARHVPTHFSQQNSSK
VSSQPKAKEESPSKAGMNKRRKLKNKRRRSLPRPHDFFDAQTLDAIRHRAICFNLSAHIE
SLGKGHSVVFHSTVIAKRKEDSGKIKLLLHWMPEDILPDVWVNESERHQLKTKVVHLSKL
PKDTALLLDPNIYRTMPQKRLKRTLIRKVFNLYLSKQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 5
Name:Histone-binding protein RBBP4
Synonyms:RBAP48 | RBBP4 | RBBP4_HUMAN | Retinoblastoma-binding protein p48 (RBAP48)
Type:Protein
Mol. Mass.:47627.91
Organism:Homo sapiens (Human)
Description:Q09028
Residue:425
Sequence:
MADKEAAFDDAVEERVINEEYKIWKKNTPFLYDLVMTHALEWPSLTAQWLPDVTRPEGKD
FSIHRLVLGTHTSDEQNHLVIASVQLPNDDAQFDASHYDSEKGEFGGFGSVSGKIEIEIK
INHEGEVNRARYMPQNPCIIATKTPSSDVLVFDYTKHPSKPDPSGECNPDLRLRGHQKEG
YGLSWNPNLSGHLLSASDDHTICLWDISAVPKEGKVVDAKTIFTGHTAVVEDVSWHLLHE
SLFGSVADDQKLMIWDTRSNNTSKPSHSVDAHTAEVNCLSFNPYSEFILATGSADKTVAL
WDLRNLKLKLHSFESHKDEIFQVQWSPHNETILASSGTDRRLNVWDLSKIGEEQSPEDAE
DGPPELLFIHGGHTAKISDFSWNPNEPWVICSVSEDNIMQVWQMAENIYNDEDPEGSVDP
EGQGS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM225230
NameBDBM50003644
Synonyms:CHEMBL485503
TypeSmall organic molecule
Emp. Form.C20H19BrN2O5
Mol. Mass.447.279
SMILESCOCCOc1ccc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc1O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
Nucleosome
Name:Nucleosome
Synonyms:n/a
Type:Protein
Mol. Mass.:n/a
Description:Histone octamer consists of 2 copies of H2A, H2B, H3, and H4 wrapped with 147 bp DNA
Components:This complex has 8 components.
Component 1
Name:Histone H2A
Synonyms:H2AFY | H2AY_HUMAN | MACROH2A1
Type:Protein
Mol. Mass.:39644.79
Organism:Homo sapiens (Human)
Description:O75367
Residue:372
Sequence:
MSSRGGKKKSTKTSRSAKAGVIFPVGRMLRYIKKGHPKYRIGVGAPVYMAAVLEYLTAEI
LELAGNAARDNKKGRVTPRHILLAVANDEELNQLLKGVTIASGGVLPNIHPELLAKKRGS
KGKLEAIITPPPAKKAKSPSQKKPVSKKAGGKKGARKSKKKQGEVSKAASADSTTEGTPA
DGFTVLSTKSLFLGQKLNLIHSEISNLAGFEVEAIINPTNADIDLKDDLGNTLEKKGGKE
FVEAVLELRKKNGPLEVAGAAVSAGHGLPAKFVIHCNSPVWGADKCEELLEKTVKNCLAL
ADDKKLKSIAFPSIGSGRNGFPKQTAAQLILKAISSYFVSTMSSSIKTVYFVLFDSESIG
IYVQEMAKLDAN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:Histone H2B
Synonyms:H2B1C_HUMAN | H2BC4 | H2BFA | H2BFG | H2BFH | H2BFK | H2BFL | HIST1H2BC | HIST1H2BE | HIST1H2BF | HIST1H2BG | HIST1H2BI
Type:Protein
Mol. Mass.:13925.62
Organism:Homo sapiens (Human)
Description:P62807
Residue:126
Sequence:
MPEPAKSAPAPKKGSKKAVTKAQKKDGKKRKRSRKESYSVYVYKVLKQVHPDTGISSKAM
GIMNSFVNDIFERIAGEASRLAHYNKRSTITSREIQTAVRLLLPGELAKHAVSEGTKAVT
KYTSSK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 3
Name:Histone H3
Synonyms:H3-3A | H3.3A | H3.3B | H33_HUMAN | H3F3 | H3F3A | H3F3B
Type:Protein
Mol. Mass.:15348.89
Organism:Homo sapiens (Human)
Description:P84243
Residue:136
Sequence:
MARTKQTARKSTGGKAPRKQLATKAARKSAPSTGGVKKPHRYRPGTVALREIRRYQKSTE
LLIRKLPFQRLVREIAQDFKTDLRFQSAAIGALQEASEAYLVGLFEDTNLCAIHAKRVTI
MPKDIQLARRIRGERA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 4
Name:Histone H4
Synonyms:H4-16 | H4/A | H4/B | H4/C | H4/D | H4/E | H4/G | H4/H | H4/I | H4/J | H4/K | H4/M | H4/N | H4/O | H4C1 | H4F2 | H4FA | H4FB | H4FC | H4FD | H4FE | H4FG | H4FH | H4FI | H4FJ | H4FK | H4FM | H4FN | H4FO | H4_HUMAN | HIST1H4A | HIST1H4B | HIST1H4C | HIST1H4D | HIST1H4E | HIST1H4F | HIST1H4H | HIST1H4I | HIST1H4J | HIST1H4K | HIST1H4L | HIST2H4 | HIST2H4A | HIST2H4B | HIST4H4 | and | andH4/B | andH4/C | andH4/D | andH4/E | andH4/G | andH4/H | andH4/I | andH4/J | andH4/K | andH4/M | andH4/N | andH4/O
Type:Protein
Mol. Mass.:11386.36
Organism:Homo sapiens (Human)
Description:P62805
Residue:103
Sequence:
MSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGGVKRISGLIYEETRGVLK
VFLENVIRDAVTYTEHAKRKTVTAMDVVYALKRQGRTLYGFGG
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 5
Name:Histone H2A
Synonyms:H2AFY | H2AY_HUMAN | MACROH2A1
Type:Protein
Mol. Mass.:39644.79
Organism:Homo sapiens (Human)
Description:O75367
Residue:372
Sequence:
MSSRGGKKKSTKTSRSAKAGVIFPVGRMLRYIKKGHPKYRIGVGAPVYMAAVLEYLTAEI
LELAGNAARDNKKGRVTPRHILLAVANDEELNQLLKGVTIASGGVLPNIHPELLAKKRGS
KGKLEAIITPPPAKKAKSPSQKKPVSKKAGGKKGARKSKKKQGEVSKAASADSTTEGTPA
DGFTVLSTKSLFLGQKLNLIHSEISNLAGFEVEAIINPTNADIDLKDDLGNTLEKKGGKE
FVEAVLELRKKNGPLEVAGAAVSAGHGLPAKFVIHCNSPVWGADKCEELLEKTVKNCLAL
ADDKKLKSIAFPSIGSGRNGFPKQTAAQLILKAISSYFVSTMSSSIKTVYFVLFDSESIG
IYVQEMAKLDAN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 6
Name:Histone H2B
Synonyms:H2B1C_HUMAN | H2BC4 | H2BFA | H2BFG | H2BFH | H2BFK | H2BFL | HIST1H2BC | HIST1H2BE | HIST1H2BF | HIST1H2BG | HIST1H2BI
Type:Protein
Mol. Mass.:13925.62
Organism:Homo sapiens (Human)
Description:P62807
Residue:126
Sequence:
MPEPAKSAPAPKKGSKKAVTKAQKKDGKKRKRSRKESYSVYVYKVLKQVHPDTGISSKAM
GIMNSFVNDIFERIAGEASRLAHYNKRSTITSREIQTAVRLLLPGELAKHAVSEGTKAVT
KYTSSK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 7
Name:Histone H3
Synonyms:H3-3A | H3.3A | H3.3B | H33_HUMAN | H3F3 | H3F3A | H3F3B
Type:Protein
Mol. Mass.:15348.89
Organism:Homo sapiens (Human)
Description:P84243
Residue:136
Sequence:
MARTKQTARKSTGGKAPRKQLATKAARKSAPSTGGVKKPHRYRPGTVALREIRRYQKSTE
LLIRKLPFQRLVREIAQDFKTDLRFQSAAIGALQEASEAYLVGLFEDTNLCAIHAKRVTI
MPKDIQLARRIRGERA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 8
Name:Histone H4
Synonyms:H4-16 | H4/A | H4/B | H4/C | H4/D | H4/E | H4/G | H4/H | H4/I | H4/J | H4/K | H4/M | H4/N | H4/O | H4C1 | H4F2 | H4FA | H4FB | H4FC | H4FD | H4FE | H4FG | H4FH | H4FI | H4FJ | H4FK | H4FM | H4FN | H4FO | H4_HUMAN | HIST1H4A | HIST1H4B | HIST1H4C | HIST1H4D | HIST1H4E | HIST1H4F | HIST1H4H | HIST1H4I | HIST1H4J | HIST1H4K | HIST1H4L | HIST2H4 | HIST2H4A | HIST2H4B | HIST4H4 | and | andH4/B | andH4/C | andH4/D | andH4/E | andH4/G | andH4/H | andH4/I | andH4/J | andH4/K | andH4/M | andH4/N | andH4/O
Type:Protein
Mol. Mass.:11386.36
Organism:Homo sapiens (Human)
Description:P62805
Residue:103
Sequence:
MSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGGVKRISGLIYEETRGVLK
VFLENVIRDAVTYTEHAKRKTVTAMDVVYALKRQGRTLYGFGG
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff: