Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHistone acetyltransferase KAT5
LigandBDBM50255526
Substrate/Competitorn/a
Meas. Tech.ChEMBL_515391 (CHEMBL1025546)
IC50 25870±n/a nM
Citation Wu, JXie, NWu, ZZhang, YZheng, YG Bisubstrate Inhibitors of the MYST HATs Esa1 and Tip60. Bioorg Med Chem17:1381-6 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Histone acetyltransferase KAT5
Name:Histone acetyltransferase KAT5
Synonyms:HTATIP | KAT5 | KAT5_HUMAN | TIP60
Type:PROTEIN
Mol. Mass.:58595.98
Organism:Homo sapiens (Human)
Description:ChEMBL_796787
Residue:513
Sequence:
MAEVGEIIEGCRLPVLRRNQDNEDEWPLAEILSVKDISGRKLFYVHYIDFNKRLDEWVTH
ERLDLKKIQFPKKEAKTPTKNGLPGSRPGSPEREVPASAQASGKTLPIPVQITLRFNLPK
EREAIPGGEPDQPLSSSSCLQPNHRSTKRKVEVVSPATPVPSETAPASVFPQNGAARRAV
AAQPGRKRKSNCLGTDEDSQDSSDGIPSAPRMTGSLVSDRSHDDIVTRMKNIECIELGRH
RLKPWYFSPYPQELTTLPVLYLCEFCLKYGRSLKCLQRHLTKCDLRHPPGNEIYRKGTIS
FFEIDGRKNKSYSQNLCLLAKCFLDHKTLYYDTDPFLFYVMTEYDCKGFHIVGYFSKEKE
STEDYNVACILTLPPYQRRGYGKLLIEFSYELSKVEGKTGTPEKPLSDLGLLSYRSYWSQ
TILEILMGLKSESGERPQITINEISEITSIKKEDVISTLQYLNLINYYKGQYILTLSEDI
VDGHERAMLKRLLRIDSKCLHFTPKDWSKRGKW
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50255526
n/a
NameBDBM50255526
Synonyms:Ac-SGRGKGGKGLGK(CoA)GGAKRHRK | CHEMBL500256
TypeSmall organic molecule
Emp. Form.C107H188N43O40P3S
Mol. Mass.2841.888
SMILESCC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:139.142,112.113,42.49,91.91,29.34,153.155,57.59,174.177,110.110,wD:107.106,109.118,4.4,71.70,144.146,164.166,12.17,185.188,(30.47,-5.9,;30.47,-4.35,;31.8,-3.59,;29.15,-3.58,;29.16,-2.02,;27.82,-1.25,;26.53,-2.1,;26.52,-3.65,;25.18,-1.31,;23.8,-1.99,;22.46,-1.23,;22.47,.3,;21.11,-2,;21.11,-3.55,;22.43,-4.32,;22.43,-5.88,;23.75,-6.65,;23.65,-8.11,;19.79,-1.22,;18.45,-1.99,;18.44,-3.52,;17.1,-1.2,;15.76,-1.96,;14.42,-1.19,;14.42,.36,;13.09,-1.96,;11.77,-1.17,;10.44,-1.96,;10.43,-3.49,;9.1,-1.18,;9.1,.38,;10.45,1.15,;10.45,2.68,;11.8,3.45,;11.79,5.03,;7.73,-1.89,;6.39,-1.14,;6.4,.41,;5.06,-1.9,;3.74,-1.11,;2.44,-1.94,;2.44,-3.47,;1.1,-1.15,;1.11,.39,;2.46,1.17,;2.46,2.7,;3.73,3.58,;3.83,5.12,;2.43,5.97,;5.12,5.95,;-.26,-1.86,;-1.61,-1.11,;-1.6,.45,;-2.93,-1.87,;-4.24,-1.05,;-5.49,-1.95,;-5.48,-3.48,;-6.84,-1.16,;-6.82,.38,;-5.47,1.18,;-8.19,-1.9,;-9.54,-1.16,;-10.86,-1.92,;-9.54,.39,;30.48,-1.26,;30.49,.27,;31.81,-2.03,;33.18,-1.33,;34.52,-2.12,;34.52,-3.66,;35.82,-1.29,;37.15,-2.07,;37.16,-3.62,;38.47,-4.39,;38.47,-5.94,;39.79,-6.71,;39.72,-8.25,;38.41,-9.07,;38.41,-10.6,;37.08,-8.3,;35.75,-9.07,;35.75,-10.61,;34.41,-11.38,;34.36,-12.92,;35.7,-13.68,;37.03,-12.92,;35.69,-15.24,;37.02,-16.01,;36.92,-17.54,;35.62,-18.37,;34.27,-17.58,;35.61,-19.89,;34.22,-20.64,;36.93,-20.66,;38.27,-21.44,;36.15,-22,;37.7,-19.34,;39.25,-19.35,;40.02,-18.02,;40.78,-16.68,;38.7,-17.25,;41.37,-18.8,;42.7,-18.04,;43.96,-17.24,;41.94,-16.71,;43.47,-19.39,;42.69,-20.73,;43.46,-22.05,;42.81,-23.47,;43.95,-24.5,;45.29,-23.74,;46.69,-24.39,;44.98,-22.24,;46.03,-21.1,;47.53,-21.43,;48.95,-21.74,;47.79,-19.9,;47.19,-22.94,;43.78,-26.04,;42.44,-26.79,;42.75,-28.31,;44.28,-28.48,;45.17,-29.73,;44.49,-31.11,;46.71,-29.58,;47.35,-28.18,;46.45,-26.92,;44.92,-27.07,;38.48,-1.3,;38.48,.23,;39.8,-2.1,;41.16,-1.37,;42.5,-2.15,;42.5,-3.7,;43.81,-1.34,;45.15,-2.1,;46.48,-1.34,;46.48,.19,;47.8,-2.13,;49.15,-1.38,;49.16,.15,;50.49,-2.17,;50.49,-3.72,;51.82,-1.38,;53.16,-2.14,;53.15,-3.69,;54.48,-4.47,;54.47,-6.02,;55.8,-6.78,;55.74,-8.34,;54.49,-1.38,;54.49,.16,;55.82,-2.15,;57.16,-1.41,;57.17,.12,;58.52,.89,;58.53,2.42,;59.85,3.21,;59.89,4.75,;58.53,5.53,;61.2,5.54,;58.5,-2.19,;58.5,-3.75,;59.83,-1.4,;61.16,-2.18,;61.15,-3.73,;62.46,-4.5,;63.84,-3.91,;64.88,-5.05,;64.11,-6.39,;62.61,-6.04,;62.47,-1.43,;62.48,.11,;63.81,-2.18,;65.15,-1.42,;65.16,.1,;66.5,.87,;66.51,2.4,;67.84,3.17,;67.87,4.71,;66.53,5.48,;69.21,5.49,;66.5,-2.21,;66.49,-3.76,;67.83,-1.44,;69.16,-2.22,;69.16,-3.77,;70.49,-4.54,;70.49,-6.1,;71.8,-6.87,;71.8,-8.42,;70.49,-1.46,;71.84,-2.24,;70.51,.07,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: