Ligand

Download

Ligand Name:   5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one
HET ID:   EHK PubChem:   138115346
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Cc1cc(=O)n(nc1c1ccncc1)C1CCNCC1
Standard InChI:   InChI=1S/C15H18N4O/c1-11-10-14(20)19(13-4-8-17-9-5-13)18-15(11)12-2-6-16-7-3-12/h2-3,6-7,10,13,17H,4-5,8-9H2,1H3
Molecular Formula:   C15H18N4O Mol. Weight:   270.32962 Heavy Atoms:   20
Charge:   0 Is Chiral:   False logP:   1.867
HBD:   1 HBA:   5 TPSA:   59.81
#Bonds:   22 #Rotatable Bonds:   2 Shape Complexity:   0.4
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Histone-lysine N-methyltransferase NSD3 Q9BZ95 (NSD3_HUMAN) Homo sapiens 6G29
-
-
SHOW