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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	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	CHEMBL114751
Molecular formula	C24H22N2O4S
IUPAC name	11-[2-(phenylcarbamoylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid
Molecular weight	434.51
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	3.8
Synonyms	BDBM50002767 SCHEMBL9371667 11-[2-(3-Phenyl-ureido)-ethylsulfanyl]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid 11-[[2-[(Phenylcarbamoyl)amino]ethyl]thio]-6,11-dihydrodibenz[b,e]oxepin-2-carboxylic acid
Inchi Key	BBBOCMYSWLTTKT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H22N2O4S/c27-23(28)16-10-11-21-20(14-16)22(19-9-5-4-6-17(19)15-30-21)31-13-12-25-24(29)26-18-7-2-1-3-8-18/h1-11,14,22H,12-13,15H2,(H,27,28)(H2,25,26,29)
PubChem CID	10094462
ChEMBL	CHEMBL114751
IUPHAR	N/A
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
Inhibition	67.0 %	PMID1388207	ChEMBL
Inhibition	98.0 %	PMID1388207	ChEMBL

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