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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	Ifetroban
Molecular formula	C25H32N2O5
IUPAC name	3-[2-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid
Molecular weight	440.54
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.0
Synonyms	BMS-180291 sodium salt GTPL1987 SCHEMBL28135 Benzenepropanoic acid, 2-((3-(4-((pentylamino)carbonyl)-2-oxazolyl)-7-oxabicyclo(2.2.1)hept-2-yl)methyl)-, (1S-(exo,exo))- CHEMBL3301673 Ifetroban sodium [USAN] 3-[2-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid BMS 180291-02 DB12321 o-((1S,2R,3S,4R)-3-(4-(Pentylcarbamoyl)-2-oxazolyl)-7-oxabicyclo(2.2.1)hept-2-yl)methyl)hydrocinnamic acid AC1MI2IZ BMS180291 HY-105218 UNII-E833KT807K 143443-90-7 BMS 180,291 CS-0025381 Ifetroban [USAN:INN] 3-[2-[[(1S,4R,5S,6R)-5-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-6-yl]methyl]phenyl]propanoic acid BMS-180291 E833KT807K SB17440 BDBM50212318 ZINC3793091 BMS 180291 D0B2WK LS-187288 [ Show all ]
Inchi Key	BBPRUNPUJIUXSE-DXKRWKNPSA-N
Inchi ID	InChI=1S/C25H32N2O5/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29)/t18-,20-,21+,23-/m0/s1
PubChem CID	3037233
ChEMBL	CHEMBL3301673
IUPHAR	1987
BindingDB	50212318
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
465301	Thromboxane A2 receptor	P34978	Tbxa2r	Rattus norvegicus (Rat)	341
553337	Thromboxane A2 receptor	P21731	TBXA2R	Homo sapiens (Human)	343

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