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Ligand

Namerofecoxib
Molecular formulaC17H14O4S
IUPAC name3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
Molecular weight314.355
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.3
Synonyms162011-90-7
I01-1042
3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
KBio2_004913
4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofuran-2-one
[ Show all ]
Inchi KeyRZJQGNCSTQAWON-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
PubChem CID5090
ChEMBLN/A
IUPHARN/A
BindingDB22369
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: 27
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
3088445-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
3088355-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
3088475-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
3088515-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
3088315-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
3088405-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
3088365-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
3088455-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
308843Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
308838Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
308853Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
308842Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
308837Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
308830Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
308854D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
308841D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
308834D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
308852Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
308839Histamine H3 receptorQ9JI35HRH3Cavia porcellus (Guinea pig)445
308846Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380

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