Ligand

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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
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SHOW
Acetylcholine binding protein None () Homo sapiens 5OUG
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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
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SHOW
Acetylcholine-binding protein P58154 (ACHP_LYMST) Lymnaea stagnalis 5AFL
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SHOW
Acetylcholine-binding protein P58154 (ACHP_LYMST) Lymnaea stagnalis 5AFH
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SHOW
Acetylcholine-binding protein P58154 (ACHP_LYMST) Lymnaea stagnalis 5AFN
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SHOW
Acetylcholine-binding protein P58154 (ACHP_LYMST) Lymnaea stagnalis 5AFK
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SHOW
Acetylcholine-binding protein P58154 (ACHP_LYMST) Lymnaea stagnalis 5AFM
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SHOW