Ligand
Ligand Name:   2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione
Ligand Type:   non-polymer
Ligand ID:   COVPDB453 PubChem:   92131160
Synonym(s):  
  •   schembl17249913
DrugBank:   - ChEMBL:   -
Canonical SMILES:   c1ccccc1SC(C(=O)c(c23)cccc2)=C(C3=O)N4CCN(C)CC4
Standard InChI:   InChI=1S/C21H20N2O2S/c1-22-11-13-23(14-12-22)18-19(24)16-9-5-6-10-17(16)20(25)21(18)26-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
Molecular Formula:   C21H20N2O2S Mol. Weight:   364.12454 logP:   3.3169
HBD:   0 HBA:   5
#Rotatable Bonds:   3 TPSA:   40.62

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
N-lysine methyltransferase KMT5A Q9NQR1 (KMT5A_HUMAN) Homo sapiens (Human) 5W1Y 9SV
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