Ligand

Download

Ligand Name:   6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one
HET ID:   B4O PubChem:   2749
DrugBank:   DB01188 ChEMBL:   CHEMBL1413
Canonical SMILES:   Cc1cc(C2CCCCC2)n(c(=O)c1)O
Standard InChI:   InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3
Molecular Formula:   C12H17NO2 Mol. Weight:   207.26888 Heavy Atoms:   15
Charge:   0 Is Chiral:   False logP:   2.4417
HBD:   1 HBA:   3 TPSA:   42.23
#Bonds:   16 #Rotatable Bonds:   1 Shape Complexity:   0.5833333
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Capsid protein P03147 (CAPSD_HBVD1) Hepatitis B virus genotype D subtype adw 6J10 Kd : 445.0 nM Binding MOAD SHOW