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Ligand

NameCHEMBL9541
Molecular formulaC16H15N3O2S
IUPAC name4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylbenzoic acid
Molecular weight313.375
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.7
SynonymsBDBM50223836
SCHEMBL5806616
Benzoic acid, 4-[[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]thio]-
CTK1J2992
677343-51-0
[ Show all ]
Inchi KeyCGEBRDJCQDVYMW-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H15N3O2S/c20-15(21)11-1-5-13(6-2-11)22-14-7-3-12(4-8-14)19-16-17-9-10-18-16/h1-8H,9-10H2,(H,20,21)(H2,17,18,19)
PubChem CID11415742
ChEMBLCHEMBL9541
IUPHARN/A
BindingDB50223836
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
41240Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386

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