Ligand

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Ligand Name:   ACETYLTHIOCHOLINE
HET ID:   AT3 PubChem:   20544
DrugBank:   - ChEMBL:   CHEMBL1231076
Canonical SMILES:   CC(=O)SCC[N+](C)(C)C
Standard InChI:   InChI=1S/C7H16NOS/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
Molecular Formula:   C7H16NOS+ Mol. Weight:   162.27304 Heavy Atoms:   10
Charge:   1 Is Chiral:   False logP:   0.9723
HBD:   0 HBA:   2 TPSA:   42.37
#Bonds:   9 #Rotatable Bonds:   4 Shape Complexity:   0.85714287
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
ChoE Q9HUP2 (Q9HUP2_PSEAE) Pseudomonas aeruginosa 6UR1
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ChoE Q9HUP2 (Q9HUP2_PSEAE) Pseudomonas aeruginosa 6UQY
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