Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase SMYD3
Ligand
BDBM293389
Substrate
n/a
Meas. Tech.
SMYD3 Biochemical Assay
IC50
19680±n/a nM
Citation
 Foley, MA; Kuntz, KW; Mitchell, LH; Munchhof, MJ Substituted isoxazoles for treating cancer US Patent  US10106510 Publication Date 10/23/2018 
Target
Name:
Histone-lysine N-methyltransferase SMYD3
Synonyms:
SET and MYND domain-containing protein 3 | SMYD3 | SMYD3_HUMAN | ZMYND1 | ZNFN3A1 | Zinc finger MYND domain-containing protein 1
Type:
Enzyme
Mol. Mass.:
49101.22
Organism:
Homo sapiens (Human)
Description:
Q9H7B4-2
Residue:
428
Sequence:
MEPLKVEKFATAKRGNGLRAVTPLRPGELLFRSDPLAYTVCKGSRGVVCDRCLLGKEKLMRCSQCRVAKYCSAKCQKKAWPDHKRECKCLKSCKPRYPPDSVRLLGRVVFKLMDGAPSESEKLYSFYDLESNINKLTEDKKEGLRQLVMTFQHFMREEIQDASQLPPAFDLFEAFAKVICNSFTICNAEMQEVGVGLYPSISLLNHSCDPNCSIVFNGPHLLLRAVRDIEVGEELTICYLDMLMTSEERRKQLRDQYCFECDCFRCQTQDKDADMLTGDEQVWKEVQESLKKIEELKAHWKWEQVLAMCQAIISSNSERLPDINIYQLKVLDCAMDACINLGLLEEALFYGTRTMEPYRIFFPGSHPVRGVQVMKVGKLQLHQGMFPQAMKNLRLAFDIMRVTHGREHSLIEDLILLLEECDANIRAS
  
Inhibitor
Name:
BDBM293389
Synonyms:
N-((1S,4r)-4-((S)-3- aminobutanamido) cyclohexyl)-N-benzyl- 5-cyclopropylisoxazole- 3-carboxamide | US10106510, Compound 53
Type:
Small organic molecule
Emp. Form.:
C24H32N4O3
Mol. Mass.:
424.5359
SMILES:
C[C@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)N(Cc1ccccc1)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,wD:10.13,1.1,(-9.4,-3.85,;-8.07,-3.08,;-8.07,-1.54,;-6.73,-3.85,;-5.4,-3.08,;-5.4,-1.54,;-4.07,-3.85,;-2.73,-3.08,;-2.73,-1.54,;-1.4,-.77,;-.07,-1.54,;-.07,-3.08,;-1.4,-3.85,;1.27,-.77,;1.27,.77,;-.07,1.54,;-.07,3.08,;-1.4,3.85,;-2.73,3.08,;-2.73,1.54,;-1.4,.77,;2.6,-1.54,;2.6,-3.08,;3.93,-.77,;5.18,-1.68,;6.43,-.77,;5.95,.69,;4.41,.69,;7.91,-1.17,;9,-2.26,;9.4,-.77,)|
Structure:
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