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Ligand

NameCHEMBL300066
Molecular formulaC24H27N3O4S2
IUPAC name4-tert-butyl-N-[5-(3-cyanopropyl)-4-(3-methoxyphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide
Molecular weight485.617
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.3
Synonyms4-tert-Butyl-N-[5-(3-cyano-propyl)-4-(3-methoxy-phenylsulfanyl)-isoxazol-3-yl]-benzenesulfonamide
3-(4-tert-Butylphenylsulfonylamino)-4-(3-methoxyphenylthio)isoxazole-5-butanenitrile
BDBM50091539
Inchi KeyCAWAINHZBODTLN-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27N3O4S2/c1-24(2,3)17-11-13-20(14-12-17)33(28,29)27-23-22(21(31-26-23)10-5-6-15-25)32-19-9-7-8-18(16-19)30-4/h7-9,11-14,16H,5-6,10H2,1-4H3,(H,26,27)
PubChem CID44298343
ChEMBLCHEMBL300066
IUPHARN/A
BindingDB50091539
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37578Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
37579Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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