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Ligand

NameCHEMBL348685
Molecular formulaC20H22N2O3S2
IUPAC nameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfanylphenyl)benzenesulfonamide
Molecular weight402.527
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.6
Synonyms4''-Isopropylsulfanyl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
BDBM50068731
Inchi KeyAHEDUZDNVCGQSP-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N2O3S2/c1-13(2)26-17-11-9-16(10-12-17)18-7-5-6-8-19(18)27(23,24)22-20-14(3)15(4)21-25-20/h5-13,22H,1-4H3
PubChem CID10501299
ChEMBLCHEMBL348685
IUPHARN/A
BindingDB50068731
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5469Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
5467Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427
5468Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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