Reaction Details
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Histone-lysine N-methyltransferase, H3 lysine-79 specific [1-416]
Ligand
BDBM244795
Substrate
n/a
Meas. Tech.
In Vitro Biological Assay
IC50
0.62±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:
BDBM244795
Synonyms:
US9446064, A86
Type:
Small organic molecule
Emp. Form.:
C29H39N7O3
Mol. Mass.:
533.6651
SMILES:
CN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3cc(ccc3[nH]2)C(C)(C)C)C1 |r,wU:5.10,3.2,wD:22.25,20.22,6.6,8.9,(-2.45,-1.08,;-2.84,.41,;-4.18,1.18,;-5.51,.41,;-5.51,-1.13,;-6.98,-1.6,;-7.88,-.36,;-9.42,-.36,;-6.98,.89,;-7.75,2.22,;-7.75,-2.94,;-6.84,-4.18,;-7.75,-5.43,;-9.21,-4.95,;-10.55,-5.72,;-10.55,-7.26,;-11.88,-4.95,;-11.88,-3.41,;-10.55,-2.64,;-9.21,-3.41,;-1.51,1.18,;-1.11,2.67,;.38,2.27,;1.71,3.04,;3.04,2.27,;4.38,3.04,;5.84,2.56,;6.75,3.81,;8.28,3.97,;8.9,5.38,;8,6.62,;6.47,6.46,;5.84,5.06,;4.38,4.58,;10.39,5.78,;11.48,4.69,;10.79,7.26,;11.88,6.18,;-.02,.78,)|
Structure:
