Ligand

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Ligand Name:   SEROTONIN
HET ID:   SRO PubChem:   5202
DrugBank:   DB08839 ChEMBL:   CHEMBL39
Canonical SMILES:   NCCc1c[nH]c2c1cc(O)cc2
Standard InChI:   InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
Molecular Formula:   C10H12N2O Mol. Weight:   176.21507 Heavy Atoms:   13
Charge:   0 Is Chiral:   False logP:   2.075
HBD:   3 HBA:   2 TPSA:   62.04
#Bonds:   15 #Rotatable Bonds:   2 Shape Complexity:   0.2
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Soluble acetylcholine receptor Q8WSF8 (Q8WSF8_APLCA) Aplysia californica 2YMD Kd : 693000.0 nM PDBBind SHOW
Soluble acetylcholine receptor Q8WSF8 (Q8WSF8_APLCA) Aplysia californica 2YMD Kd : 693000.0 nM Binding MOAD SHOW
6-hydroxy-L-nicotine oxidase Q93NH4 (Q93NH4_PAENI) Paenarthrobacter nicotinovorans 3NK1
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