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Ligand

NameCHEMBL9649
Molecular formulaC17H17N3O2S
IUPAC nameN-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
Molecular weight327.402
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.4
SynonymsBDBM50223832
SCHEMBL5806737
Inchi KeyAWTBKMBUUHOYAF-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H17N3O2S/c1-3-13(4-2-12(1)20-17-18-7-8-19-17)23-14-5-6-15-16(11-14)22-10-9-21-15/h1-6,11H,7-10H2,(H2,18,19,20)
PubChem CID11267409
ChEMBLCHEMBL9649
IUPHARN/A
BindingDB50223832
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
16329Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386

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