Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase SMYD3
Ligand
BDBM293366
Substrate
n/a
Meas. Tech.
SMYD3 Biochemical Assay
IC50
1686±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:
BDBM293366
Synonyms:
N-((1R,4r)-4-((R)- 4-amino- 3-hydroxybutanamido) cyclohexyl)-5- cyclopropylisoxazole- 3-carboxamide | US10106510, Compound 30
Type:
Small organic molecule
Emp. Form.:
C17H26N4O4
Mol. Mass.:
350.4127
SMILES:
NC[C@H](O)CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:8.7,2.2,wD:11.14,(10.07,-1.5,;8.73,-2.27,;7.4,-1.5,;7.4,.04,;6.07,-2.27,;4.73,-1.5,;4.73,.04,;3.4,-2.27,;2.07,-1.5,;.73,-2.27,;-.6,-1.5,;-.6,.04,;.73,.81,;2.07,.04,;-1.93,.81,;-3.27,.04,;-3.27,-1.5,;-4.6,.81,;-5.85,-.1,;-7.09,.81,;-6.62,2.27,;-5.08,2.27,;-8.58,.41,;-10.07,.81,;-9.67,-.68,)|
Structure:
Search PDB for entries with ligand similarity: