Reaction Details
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Histone-lysine N-methyltransferase, H3 lysine-79 specific [1-416]
Ligand
BDBM244796
Substrate
n/a
Meas. Tech.
In Vitro Biological Assay
IC50
0.8±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:
BDBM244796
Synonyms:
US9446064, A87
Type:
Small organic molecule
Emp. Form.:
C28H34F3N7O4
Mol. Mass.:
589.6093
SMILES:
CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3cc(OC(F)(F)F)ccc3[nH]2)C1 |r,wU:7.12,5.4,wD:22.24,24.27,8.8,10.11,(3.3,6.13,;1.81,6.53,;1.41,8.02,;.48,5.76,;-.86,6.53,;-2.19,5.76,;-2.19,4.22,;-3.66,3.75,;-4.56,4.99,;-6.1,4.99,;-3.66,6.24,;-4.43,7.57,;-4.43,2.41,;-3.52,1.17,;-4.43,-.08,;-5.89,.4,;-7.22,-.37,;-7.22,-1.91,;-8.56,.4,;-8.56,1.94,;-7.22,2.71,;-5.89,1.94,;.88,4.27,;2.21,3.5,;1.44,2.17,;1.84,.68,;3.32,.28,;3.72,-1.2,;4.97,-2.11,;4.49,-3.57,;5.26,-4.91,;4.49,-6.24,;5.58,-7.33,;7.07,-6.93,;8.16,-8.02,;7.47,-5.44,;8.56,-6.53,;2.95,-6.24,;2.18,-4.91,;2.95,-3.57,;2.48,-2.11,;.11,2.94,)|
Structure:
