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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Thromboxane A2 receptor
Species	Rattus norvegicus (Rat)
Gene	Tbxa2r
Synonym	prostanoid TP receptor TP receptor TXA2-R TXR2
Disease	N/A for non-human GPCRs
Length	341
Amino acid sequence	MWLNSTSLGACFRPVNITLQERRAIASPWFAASFCALGLGSNLLALSVLAGARPGAGPRSSFLALLCGLVLTDFLGLLVTGAVVASQHAALLDWRATDPGCRLCHFMGAAMVFFGLCPLLLGAAMAAERFVGITRPFSRPAATSRRAWATVGLVWVGAGTLGLLPLLGLGRYSVQYPGSWCFLTLGAERGDVAFGLMFALLGSVSVGLSLLLNTVSVATLCRVYHAREATQRPRDCEVEMMVQLVGIMVVATVCWMPLLVFILQTLLQTLPVMSPSGQLLRTTERQLLIYLRVATWNQILDPWVYILFRRSVLRRLHPRFTSQLQAVSLHSPPTQAMLSGP
UniProt	P34978
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3156
IUPHAR	346
DrugBank	N/A

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.

Experimental Data

Parameter	Value	Reference	Database source
Kd	4.0 nM	N/A	BindingDB
Kd	4.03 nM	Bioorg. Med. Chem. Lett., (1992) 2:1:73	ChEMBL

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