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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Thromboxane A2 receptor
Species	Mus musculus (Mouse)
Gene	Tbxa2r
Synonym	Prostanoid TP receptor TP receptor TXA2-R
Disease	N/A for non-human GPCRs
Length	341
Amino acid sequence	MWPNGTSLGACFRPVNITLQERRAIASPWFAASFCALGLGSNLLALSVLAGARPGAGPRSSFLALLCGLVLTDFLGLLVTGAIVASQHAALLDWRATDPSCRLCYFMGVAMVFFGLCPLLLGAAMASERFVGITRPFSRPTATSRRAWATVGLVWVAAGALGLLPLLGLGRYSVQYPGSWCFLTLGTQRGDVVFGLIFALLGSASVGLSLLLNTVSVATLCRVYHTREATQRPRDCEVEMMVQLVGIMVVATVCWMPLLVFIMQTLLQTPPVMSFSGQLLRATEHQLLIYLRVATWNQILDPWVYILFRRSVLRRLHPRFSSQLQAVSLRRPPAQAMLSGP
UniProt	P30987
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	CHEMBL1795181
IUPHAR	346
DrugBank	N/A

Ligand

Name	Domitroban
Molecular formula	C20H27NO4S
IUPAC name	(Z)-7-[(1R,2S,3S,4S)-3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
Molecular weight	377.499
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.6
Synonyms	(Z)-7-[(1R,2S,3S,4S)-3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid 5-Heptenoic acid, 7-((1R,2S,3S,4S)-3-((phenylsulfonyl)amino)bicyclo(2.2.1)hept-2-yl)-, (5Z)- Calcium 5,7-(3-phenylsulfonylaminobicyclo(2.2.1)hept-2-yl)-5-heptenoate hydrate Domitroban, (+/-)- SCHEMBL361564 115266-92-7 7-(3-((Phenylsulfonyl)amino)bicyclo(2.2.1)hept-2-yl)-5-heptenoic acid, (+/-)-(5Z)- D01HRR LS-172207 [3H]S-145 (+/-)-S-145 Amboxan Domitroban (+/-)-form [MI] S-1452 (Z)-7-[(1R,4S,5S,6S)-5-(phenylsulfonylamino)-6-bicyclo[2.2.1]heptanyl]hept-5-enoic acid 5-Heptenoic acid, 7-((1R,2S,3S,4S)-3-((phenylsulfonyl)amino)bicyclo(2.2.1)hept-2-yl)-, (5Z)-rel- CHEBI:135586 GTPL1979 UNII-6C4W5D1SE7 component PWTCIBWRMQFJBC-ZEMKZVSASA-N (+)-(Z)-7-((1R,2S,3S,4S)-3-Benzenesulfonamido-2-norbornyl)-5-heptenoic acid 132747-47-8 742F5K270Q D0R6BE S-145 (1r,2s,3s,4s)-(5z)-7-(3-((phenylsulfonyl)amino)bicyclo[2.2.1]hept-2-yl)hept-5-enoic acid 5,7-(3-Phenylsulfonylamino(2.2.1)bicyclohept-2-yl)heptenoic acid Anboxan Domitroban [INN] SCHEMBL361563 112966-96-8 5-Heptenoic acid, 7-(3-((phenylsulfonyl)amino)bicyclo(2.2.1)hept-2-yl)-, (1R-(1alpha,2alpha(Z),3beta,4alpha))- CHEMBL3301671 GTPL1984 UNII-742F5K270Q (+)-S-145 AC1NSM30 S-145 (Thromboxane antagonist) [ Show all ]
Inchi Key	PWTCIBWRMQFJBC-ZEMKZVSASA-N
Inchi ID	InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16+,18+,20+/m1/s1
PubChem CID	5312138
ChEMBL	N/A
IUPHAR	1984, 1979
BindingDB	N/A
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	3.16228 nM	PMID1375456	IUPHAR
Ki	0.630957 nM	PMID9313928	IUPHAR

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