Ki Summary

Reaction Details

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Target

Histone-lysine N-methyltransferase, H3 lysine-79 specific [1-416]

Ligand

BDBM244793

Substrate/Competitor

n/a

Meas. Tech.

In Vitro Biological Assay

IC50

2.51±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.:

Get all data from this article, Assay Method

Histone-lysine N-methyltransferase, H3 lysine-79 specific [1-416]

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:

MGEKLELRLKSPVGAEPAVYPWPLPVYDKHHDAAHEIIETIRWVCEEIPDLKLAMENYVL
IDYDTKSFESMQRLCDKYNRAIDSIHQLWKGTTQPMKLNTRPSTGLLRHILQQVYNHSVT
DPEKLNNYEPFSPEVYGETSFDLVAQMIDEIKMTDDDLFVDLGSGVGQVVLQVAAATNCK
HHYGVEKADIPAKYAETMDREFRKWMKWYGKKHAEYTLERGDFLSEEWRERIANTSVIFV
NNFAFGPEVDHQLKERFANMKEGGRIVSSKPFAPLNFRINSRNLSDIGTIMRVVELSPLK
GSVSWTGKPVSYYLHTIDRTILENYFSSLKNPKLREEQEAARRRQQRESKSNAATPTKGP
EGKVAGPADAPMDSGAEEEKAGAATVKKPSPSKARKKKLNKKGRKMAGRKRGRPKK

BDBM244793

n/a

Name

BDBM244793

Synonyms:

US9446064, A69

Type

Small organic molecule

Emp. Form.

C30H41N7O2

Mol. Mass.

531.6922

SMILES

CN(C[C@H]1C[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