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Ligand

NameCHEMBL117224
Molecular formulaC23H30N2O4S
IUPAC name3-[3-[2-(cyclohexylsulfonylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid
Molecular weight430.563
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.7
SynonymsBDBM50060384
SCHEMBL9178744
3-[3-(2-Cyclohexanesulfonylamino-ethyl)-5-pyridin-3-ylmethyl-phenyl]-propionic acid
Inchi KeyAEZWAALFFBECGR-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30N2O4S/c26-23(27)9-8-18-13-19(15-21(14-18)16-20-5-4-11-24-17-20)10-12-25-30(28,29)22-6-2-1-3-7-22/h4-5,11,13-15,17,22,25H,1-3,6-10,12,16H2,(H,26,27)
PubChem CID10765092
ChEMBLCHEMBL117224
IUPHARN/A
BindingDBN/A
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
3979Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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