Ligand

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Ligand Name:   3-[(2S)-pyrrolidin-2-ylethynyl]pyridine
HET ID:   TI9 PubChem:   9942265
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C1CN[C@@H](C1)C#Cc1cccnc1
Standard InChI:   InChI=1S/C11H12N2/c1-3-10(9-12-7-1)5-6-11-4-2-8-13-11/h1,3,7,9,11,13H,2,4,8H2/t11-/m0/s1
Molecular Formula:   C11H12N2 Mol. Weight:   172.22638 Heavy Atoms:   13
Charge:   0 Is Chiral:   True logP:   1.5139
HBD:   1 HBA:   2 TPSA:   24.92
#Bonds:   15 #Rotatable Bonds:   0 Shape Complexity:   0.44444445
Stereocomplexity:   0.09090909
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Acetylcholine-binding protein P58154 (ACHP_LYMST) Lymnaea stagnalis 4ZRU
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