BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific
LigandBDBM297390
Substrate/Competitorn/a
Meas. Tech.Assays of Enzymatic Activity
IC50 0.730±n/a nM
Citation Olhava EJChesworth RPollock RMJin L Inhibitors of protein methyltransferase DOT1L and methods of use thereof US Patent  US10112968 Publication Date 10/30/2018  Article
More Info.:Get all data from this article,  Assay Method
 
Histone-lysine N-methyltransferase, H3 lysine-79 specific
Name:Histone-lysine N-methyltransferase, H3 lysine-79 specific
Synonyms:2.1.1.43 | DOT1-like protein | DOT1-like protein (Dot1L) | DOT1L | H3-K79-HMTase | Histone H3-K79 methyltransferase | Histone H3-K79 methyltransferase (DOT1L) | Histone Methyltransferase DOT1L | Histone-lysine N-methyltransferase, H3 lysine-79 specific (DOT1L) | KIAA1814 | KMT4 | Lysine N-methyltransferase 4
Type:Protein
Mol. Mass.:184911.91
Organism:Homo sapiens (Human)
Description:Q8TEK3
Residue:1537
Sequence:
MGEKLELRLKSPVGAEPAVYPWPLPVYDKHHDAAHEIIETIRWVCEEIPDLKLAMENYVL
IDYDTKSFESMQRLCDKYNRAIDSIHQLWKGTTQPMKLNTRPSTGLLRHILQQVYNHSVT
DPEKLNNYEPFSPEVYGETSFDLVAQMIDEIKMTDDDLFVDLGSGVGQVVLQVAAATNCK
HHYGVEKADIPAKYAETMDREFRKWMKWYGKKHAEYTLERGDFLSEEWRERIANTSVIFV
NNFAFGPEVDHQLKERFANMKEGGRIVSSKPFAPLNFRINSRNLSDIGTIMRVVELSPLK
GSVSWTGKPVSYYLHTIDRTILENYFSSLKNPKLREEQEAARRRQQRESKSNAATPTKGP
EGKVAGPADAPMDSGAEEEKAGAATVKKPSPSKARKKKLNKKGRKMAGRKRGRPKKMNTA
NPERKPKKNQTALDALHAQTVSQTAASSPQDAYRSPHSPFYQLPPSVQRHSPNPLLVAPT
PPALQKLLESFKIQYLQFLAYTKTPQYKASLQELLGQEKEKNAQLLGAAQQLLSHCQAQK
EEIRRLFQQKLDELGVKALTYNDLIQAQKEISAHNQQLREQSEQLEQDNRALRGQSLQLL
KARCEELQLDWATLSLEKLLKEKQALKSQISEKQRHCLELQISIVELEKSQRQQELLQLK
SCVPPDDALSLHLRGKGALGRELEPDASRLHLELDCTKFSLPHLSSMSPELSMNGQAAGY
ELCGVLSRPSSKQNTPQYLASPLDQEVVPCTPSHVGRPRLEKLSGLAAPDYTRLSPAKIV
LRRHLSQDHTVPGRPAASELHSRAEHTKENGLPYQSPSVPGSMKLSPQDPRPLSPGALQL
AGEKSSEKGLRERAYGSSGELITSLPISIPLSTVQPNKLPVSIPLASVVLPSRAERARST
PSPVLQPRDPSSTLEKQIGANAHGAGSRSLALAPAGFSYAGSVAISGALAGSPASLTPGA
EPATLDESSSSGSLFATVGSRSSTPQHPLLLAQPRNSLPASPAHQLSSSPRLGGAAQGPL
PEASKGDLPSDSGFSDPESEAKRRIVFTITTGAGSAKQSPSSKHSPLTASARGDCVPSHG
QDSRRRGRRKRASAGTPSLSAGVSPKRRALPSVAGLFTQPSGSPLNLNSMVSNINQPLEI
TAISSPETSLKSSPVPYQDHDQPPVLKKERPLSQTNGAHYSPLTSDEEPGSEDEPSSARI
ERKIATISLESKSPPKTLENGGGLAGRKPAPAGEPVNSSKWKSTFSPISDIGLAKSADSP
LQASSALSQNSLFTFRPALEEPSADAKLAAHPRKGFPGSLSGADGLSPGTNPANGCTFGG
GLAADLSLHSFSDGASLPHKGPEAAGLSSPLSFPSQRGKEGSDANPFLSKRQLDGLAGLK
GEGSRGKEAGEGGLPLCGPTDKTPLLSGKAAKARDREVDLKNGHNLFISAAAVPPGSLLS
GPGLAPAASSAGGAASSAQTHRSFLGPFPPGPQFALGPMSLQANLGSVAGSSVLQSLFSS
VPAAAGLVHVSSAATRLTNSHAMGSFSGVAGGTVGGN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM297390
n/a
NameBDBM297390
Synonyms:(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-((((1s,3R)-3-(2-(5-(tert-butyl)-1H-benzo[d]imidazol-2-yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3,4-diol | US10112968, Compound A3
TypeSmall organic molecule
Emp. Form.C30H42N8O3
Mol. Mass.562.7063
SMILESCC(C)N(CC1OC([C@H](O)C1O)n1cnc2c(N)ncnc12)C1CC(CCc2nc3ccc(cc3[nH]2)C(C)(C)C)C1 |r,wU:8.8,(-11.05,-1.3,;-9.51,-1.3,;-8.74,.03,;-8.74,-2.64,;-9.51,-3.97,;-11.05,-3.97,;-11.96,-2.72,;-13.42,-3.2,;-13.42,-4.74,;-14.67,-5.65,;-11.96,-5.22,;-11.48,-6.68,;-14.67,-2.3,;-14.67,-.76,;-16.13,-.28,;-17.04,-1.53,;-18.57,-1.69,;-19.47,-.44,;-19.19,-3.09,;-18.29,-4.34,;-16.76,-4.18,;-16.13,-2.77,;-7.2,-2.64,;-6.11,-1.55,;-5.02,-2.64,;-3.48,-2.64,;-2.71,-1.3,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;5.2,.24,;6.53,1.01,;5.97,-1.1,;4.43,1.57,;-6.11,-3.73,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: