Ligand Download |
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Ligand Name: Hosieine | ||
HET ID: LDQ | PubChem: 154573613 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: C[C@@H]1C[C@@H]2[C@@H]3[C@H]1[C@H](CN2C)c1n(C3)c(=O)ccc1 | ||
Standard InChI: InChI=1S/C15H20N2O/c1-9-6-13-11-8-17-12(4-3-5-14(17)18)10(15(9)11)7-16(13)2/h3-5,9-11,13,15H,6-8H2,1-2H3/t9-,10-,11-,13-,15-/m1/s1 | ||
Molecular Formula: C15H20N2O | Mol. Weight: 244.3321 | Heavy Atoms: 18 |
Charge: 0 | Is Chiral: True | logP: 1.4696 |
HBD: 0 | HBA: 3 | TPSA: 25.24 |
#Bonds: 26 | #Rotatable Bonds: 0 | Shape Complexity: 0.6666667 |
Stereocomplexity: 0.33333334 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Soluble acetylcholine receptor | Q8WSF8 (Q8WSF8_APLCA) | Aplysia californica | 6SGV |
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