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Target
Histone-lysine N-methyltransferase SETD7
Ligand
BDBM50033731
Substrate
n/a
Meas. Tech.
ChEMBL_1994359 (CHEMBL4628254)
IC50
21620±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 SETD7
Synonyms:
Histone-lysine N-methyltransferase SETD7 | KIAA1717 | KMT7 | SET domain-containing protein 7/9 (Set7/9) | SET7 | SET9 | SETD7 | SETD7_HUMAN
Type:
Enzyme
Mol. Mass.:
40691.12
Organism:
Homo sapiens (Human)
Description:
Q8WTS6
Residue:
366
Sequence:
MDSDDEMVEEAVEGHLDDDGLPHGFCTVTYSSTDRFEGNFVHGEKNGRGKFFFFDGSTLEGYYVDDALQGQGVYTYEDGGVLQGTYVDGELNGPAQEYDTDGRLIFKGQYKDNIRHGVCWIYYPDGGSLVGEVNEDGEMTGEKIAYVYPDERTALYGKFIDGEMIEGKLATLMSTEEGRPHFELMPGNSVYHFDKSTSSCISTNALLPDPYESERVYVAESLISSAGEGLFSKVAVGPNTVMSFYNGVRITHQEVDSRDWALNGNTLSLDEETVIDVPEPYNHVSKYCASLGHKANHSFTPNCIYDMFVHPRFGPIKCIRTLRAVEADEELTVAYGYDHSPPGKSGPEAPEWYQVELKAFQATQQK
  
Inhibitor
Name:
BDBM50033731
Synonyms:
(R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione | 5,8-Dihydroxy-2-((R)-1-hydroxy-4-methyl-pent-3-enyl)-[1,4]naphthoquinone | 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[1,4]naphthoquinone | CHEMBL9470 | Shikonin
Type:
Small organic molecule
Emp. Form.:
C16H16O5
Mol. Mass.:
288.2952
SMILES:
CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O |w:4.4|
Structure:
Search PDB for entries with ligand similarity: