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Ligand

Nameethyl 2-(methylsulfanyl)-4-{3-[(phenylsulfonyl)amino]phenoxy}-5-pyrimidinecarboxylate
Molecular formulaC20H19N3O5S2
IUPAC nameethyl 4-[3-(benzenesulfonamido)phenoxy]-2-methylsulfanylpyrimidine-5-carboxylate
Molecular weight445.508
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.7
Synonyms439111-29-2
MLS000549264
AC1LS36C
CHEMBL1343347
MolPort-002-875-674
[ Show all ]
Inchi KeyAAOCSIJBSWKPFU-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19N3O5S2/c1-3-27-19(24)17-13-21-20(29-2)22-18(17)28-15-9-7-8-14(12-15)23-30(25,26)16-10-5-4-6-11-16/h4-13,23H,3H2,1-2H3
PubChem CID1481618
ChEMBLCHEMBL1343347
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
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GLASS IDNameUniProtGeneSpeciesLength
377Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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