Reaction Details
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Histone-lysine N-methyltransferase, H3 lysine-79 specific [1-416]
Ligand
BDBM244797
Substrate
n/a
Meas. Tech.
In Vitro Biological Assay
IC50
2.18±n/a nM
Citation
Klaus, C; Raimondi, MA; Daigle, SR; Pollock, RM Combination therapy for treating cancer US Patent US9446064 Publication Date 9/20/2016 More Info.:
Target
Name:
Histone-lysine N-methyltransferase, H3 lysine-79 specific [1-416]
Synonyms:
DOT1L | DOT1L_HUMAN | Histone H3-K79 methyltransferase (DOT1L) | KIAA1814 | KMT4
Type:
Protein
Mol. Mass.:
47443.16
Organism:
Homo sapiens (Human)
Description:
Q8TEK3 aa 1-416
Residue:
416
Sequence:
MGEKLELRLKSPVGAEPAVYPWPLPVYDKHHDAAHEIIETIRWVCEEIPDLKLAMENYVLIDYDTKSFESMQRLCDKYNRAIDSIHQLWKGTTQPMKLNTRPSTGLLRHILQQVYNHSVTDPEKLNNYEPFSPEVYGETSFDLVAQMIDEIKMTDDDLFVDLGSGVGQVVLQVAAATNCKHHYGVEKADIPAKYAETMDREFRKWMKWYGKKHAEYTLERGDFLSEEWRERIANTSVIFVNNFAFGPEVDHQLKERFANMKEGGRIVSSKPFAPLNFRINSRNLSDIGTIMRVVELSPLKGSVSWTGKPVSYYLHTIDRTILENYFSSLKNPKLREEQEAARRRQQRESKSNAATPTKGPEGKVAGPADAPMDSGAEEEKAGAATVKKPSPSKARKKKLNKKGRKMAGRKRGRPKK
Inhibitor
Name:
BDBM244797
Synonyms:
US9446064, A91
Type:
Small organic molecule
Emp. Form.:
C27H32F3N8O4
Mol. Mass.:
589.5894
SMILES:
CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3ccc(OC(F)(F)F)cc3n2)C1 |r,wU:8.8,10.11,wD:7.12,5.4,22.24,24.27,(.8,-8.12,;1.2,-6.63,;2.69,-6.23,;.11,-5.54,;-1.11,-6.25,;-2.33,-5.54,;-2.33,-4.13,;-3.67,-3.69,;-4.5,-4.84,;-5.91,-4.84,;-3.67,-5.98,;-4.38,-7.2,;-4.38,-2.47,;-3.55,-1.33,;-4.38,-.19,;-5.72,-.63,;-6.94,.08,;-6.94,1.49,;-8.16,-.63,;-8.16,-2.04,;-6.94,-2.74,;-5.72,-2.04,;.48,-4.18,;-.29,-2.84,;1.04,-2.07,;1.44,-.59,;2.93,-.19,;3.33,1.3,;2.08,2.21,;2.56,3.67,;1.79,5,;2.56,6.34,;4.1,6.34,;5.18,7.43,;6.67,7.03,;7.07,5.54,;7.76,8.12,;8.16,6.63,;4.87,5,;4.1,3.67,;4.57,2.21,;1.81,-3.41,)|
Structure:
