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GLASS

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GPCR

Name	Thromboxane A2 receptor
Species	Homo sapiens (Human)
Gene	TBXA2R
Synonym	TP receptor TXA2-R prostanoid TP receptor
Disease	Diabetic neuropathy Cardiovascular disorder Erectile dysfunction Perennial allergic rhinitis Peripheral vascular disease Thromboembolism Thrombosis Unspecified Asthma Angina pectoris Allergic rhinitis Allergic asthma Acute myocardial infarction [ Show all ]
Length	343
Amino acid sequence	MWPNGSSLGPCFRPTNITLEERRLIASPWFAASFCVVGLASNLLALSVLAGARQGGSHTRSSFLTFLCGLVLTDFLGLLVTGTIVVSQHAALFEWHAVDPGCRLCRFMGVVMIFFGLSPLLLGAAMASERYLGITRPFSRPAVASQRRAWATVGLVWAAALALGLLPLLGVGRYTVQYPGSWCFLTLGAESGDVAFGLLFSMLGGLSVGLSFLLNTVSVATLCHVYHGQEAAQQRPRDSEVEMMAQLLGIMVVASVCWLPLLVFIAQTVLRNPPAMSPAGQLSRTTEKELLIYLRVATWNQILDPWVYILFRRAVLRRLQPRLSTRPRSLSLQPQLTQRSGLQ
UniProt	P21731
Protein Data Bank	6iiv, 6iiu
GPCR-HGmod model	P21731
3D structure model	This structure is from PDB ID 6iiv.
BioLiP	BL0436518, BL0436517, BL0436516, BL0436515, BL0436514, BL0436513
Therapeutic Target Database	T76198
ChEMBL	CHEMBL2069
IUPHAR	346
DrugBank	BE0000759

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	(+)-S-145 AC1NSM30 S-145 (Thromboxane antagonist) (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 [ 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	1979, 1984
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	1.25893 nM	PMID1825698	IUPHAR
Ki	0.251189 nM	PMID1833018	IUPHAR

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