Ligand Download |
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Ligand Name: EPIBATIDINE | ||
HET ID: EPJ | PubChem: 854023 | |
DrugBank: DB07720 | ChEMBL: CHEMBL298826 | |
Canonical SMILES: Clc1ccc(cn1)[C@H]1C[C@H]2N[C@@H]1CC2 | ||
Standard InChI: InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1 | ||
Molecular Formula: C11H13ClN2 | Mol. Weight: 208.68732 | Heavy Atoms: 14 |
Charge: 0 | Is Chiral: True | logP: 2.6717 |
HBD: 1 | HBA: 2 | TPSA: 24.92 |
#Bonds: 19 | #Rotatable Bonds: 1 | Shape Complexity: 0.54545456 |
Stereocomplexity: 0.27272728 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Neuronal acetylcholine receptor subunit alpha-2 | Q15822 (ACHA2_HUMAN) | Homo sapiens | 5FJV | Kd : 0.02 nM, Ki : 0.1 nM, Ki : 0.09 nM, Ki : 0.09 nM, Ki : 0.11 nM, Ki : 10.2 nM, Ki : 0.03 nM, Ki : 10.0 nM, Ki : 0.02 nM, Kd : 0.08 nM, Ki : 87.0 nM | BindingDB | SHOW |
Soluble acetylcholine receptor | Q8WSF8 (Q8WSF8_APLCA) | Aplysia californica | 2BYQ | Ki : 7.4 nM, Ki : 1.0 nM | BindingDB | SHOW |
Neuronal acetylcholine receptor subunit alpha-7, Acetylcholine-binding protein | None () | Homo sapiens / Lymnaea stagnalis | 3SQ6 |
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