Ligand Download |
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Ligand Name: STRYCHNINE | ||
HET ID: SY9 | PubChem: 441071 | |
DrugBank: - | ChEMBL: CHEMBL227934 | |
Canonical SMILES: O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | ||
Standard InChI: InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1 | ||
Molecular Formula: C21H22N2O2 | Mol. Weight: 334.4116 | Heavy Atoms: 25 |
Charge: 0 | Is Chiral: True | logP: 2.0954 |
HBD: 0 | HBA: 4 | TPSA: 32.78 |
#Bonds: 36 | #Rotatable Bonds: 0 | Shape Complexity: 0.5714286 |
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 | 2XYS | Ki : 38.0 nM | PDBBind | SHOW |
Soluble acetylcholine receptor | Q8WSF8 (Q8WSF8_APLCA) | Aplysia californica | 2XYS | Ki : 38.0 nM | Binding MOAD | SHOW |
Glycine receptor subunit alpha-3 | O75311 (GLRA3_HUMAN) | Homo sapiens | 5CFB | Ki : 12.0 nM, Ki : 23.0 nM, Ki : 180.0 nM, IC50 : 182.0 nM, IC50 : 93.0 nM, IC50 : 58.0 nM, IC50 : 51.0 nM | BindingDB | SHOW |
Glycine receptor subunit alphaZ1 | O93430 (GLRA1_DANRE) | Danio rerio | 3JAD | Ki : 12.0 nM, Ki : 23.0 nM, Ki : 58.0 nM, IC50 : 51.0 nM, IC50 : 180.0 nM, IC50 : 182.0 nM, IC50 : 93.0 nM | BindingDB | SHOW |
Soluble acetylcholine receptor | Q8WSF8 (Q8WSF8_APLCA) | Aplysia californica | 5OA0 |
- |
- |
SHOW |
Soluble acetylcholine receptor | Q8WSF8 (Q8WSF8_APLCA) | Aplysia californica | 5O8T |
- |
- |
SHOW |
Soluble acetylcholine receptor | Q8WSF8 (Q8WSF8_APLCA) | Aplysia californica | 5OBG |
- |
- |
SHOW |
Soluble acetylcholine receptor | Q8WSF8 (Q8WSF8_APLCA) | Aplysia californica | 5OAL |
- |
- |
SHOW |