Ligand Download |
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Ligand Name: Alpha-Lobeline | ||
HET ID: L0B | PubChem: 101616 | |
DrugBank: DB05137 | ChEMBL: CHEMBL122270 | |
Canonical SMILES: O[C@H](c1ccccc1)C[C@@H]1CCC[C@@H](N1C)CC(=O)c1ccccc1 | ||
Standard InChI: InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1 | ||
Molecular Formula: C22H27NO2 | Mol. Weight: 337.4553 | Heavy Atoms: 25 |
Charge: 0 | Is Chiral: True | logP: 4.1739 |
HBD: 1 | HBA: 3 | TPSA: 40.54 |
#Bonds: 30 | #Rotatable Bonds: 6 | Shape Complexity: 0.4090909 |
Stereocomplexity: 0.13636364 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Acetylcholine binding protein | None () | Homo sapiens | 5OUH |
- |
- |
SHOW |
Acetylcholine binding protein | None () | Homo sapiens | 5OUG |
- |
- |
SHOW |
Achbp | I6L8L2 (I6L8L2_CAPTE) | Capitella teleta | 4AFH | Ki : 0.29 nM | Binding MOAD | SHOW |
Achbp | I6L8L2 (I6L8L2_CAPTE) | Capitella teleta | 4AFH | Ki : 0.29 nM | PDBBind | SHOW |
Acetylcholine-binding protein | P58154 (ACHP_LYMST) | Lymnaea stagnalis | 5AFJ |
- |
- |
SHOW |
Acetylcholine-binding protein | P58154 (ACHP_LYMST) | Lymnaea stagnalis | 5AFL |
- |
- |
SHOW |
Acetylcholine-binding protein | P58154 (ACHP_LYMST) | Lymnaea stagnalis | 5AFH |
- |
- |
SHOW |
Acetylcholine-binding protein | P58154 (ACHP_LYMST) | Lymnaea stagnalis | 5AFN |
- |
- |
SHOW |
Acetylcholine-binding protein | P58154 (ACHP_LYMST) | Lymnaea stagnalis | 5AFK |
- |
- |
SHOW |
Acetylcholine-binding protein | P58154 (ACHP_LYMST) | Lymnaea stagnalis | 5AFM |
- |
- |
SHOW |