Reaction Details
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Histone-lysine N-methyltransferase, H3 lysine-79 specific [1-416]
Ligand
BDBM50075098
Substrate
n/a
Meas. Tech.
In Vitro Biological Assay
IC50
0.74±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:
BDBM50075098
Synonyms:
CHEMBL3414626 | US10143704, Compound A2 | US9446064, A2
Type:
Small organic molecule
Emp. Form.:
C30H42N8O3
Mol. Mass.:
562.7063
SMILES:
CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3cc(ccc3[nH]2)C(C)(C)C)C1 |r,wU:24.27,22.24,10.11,8.8,wD:5.4,7.12,(-.55,4.43,;-1.02,5.57,;-2.24,5.73,;-.08,6.8,;1.45,6.59,;2.04,5.17,;1.23,3.86,;2.24,2.7,;3.65,3.27,;4.7,2.61,;3.54,4.8,;4.48,5.6,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.56,;-1.03,-2.79,;-2.38,-.77,;-2.38,.77,;-1.03,1.56,;.3,.77,;-.67,8.22,;-.05,9.59,;-1.48,10.19,;-2.06,11.61,;-1.11,12.83,;-1.7,14.26,;-.89,15.53,;-1.87,16.71,;-1.63,18.24,;-2.86,19.2,;-4.29,18.63,;-4.52,17.09,;-3.29,16.14,;-3.19,14.61,;-2.65,20.73,;-1.51,21.19,;-3.62,21.48,;-2.48,21.95,;-2.07,8.77,)|
Structure:
