Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase SMYD3
Ligand
BDBM23411
Substrate
n/a
Meas. Tech.
ChEMBL_1994361 (CHEMBL4628256)
IC50
18230±n/a nM
Citation
 Min, W; Hou, Z; Zhang, F; Xie, S; Yuan, K; Dong, H; Wang, L; Qi, L; Luo, C; Ding, H; Yang, P Computational discovery and biological evaluation of novel inhibitors targeting histone-lysine N-methyltransferase SET7. Bioorg Med Chem 28:0 (2020) [PubMed]  Article 
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:
BDBM23411
Synonyms:
5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one | Scutel-larei | Scutellarein | Scutellarein (2) | Scutellarein (28) | US10252984, Table 2.2
Type:
flavone
Emp. Form.:
C15H10O6
Mol. Mass.:
286.2363
SMILES:
Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
Structure:
Search PDB for entries with ligand similarity: