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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	851723-84-7
Molecular formula	C21H17FN2O2
IUPAC name	2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid
Molecular weight	348.377
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.4
Synonyms	950688-14-9 (sodium salt) AOB87167 DTXSID00234343 NCGC00386286-04 OC000459 SCHEMBL1782956 2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-indol-1-yl)acetic acid AJ-108236 BCP04237 CS-1285 GTPL9277 OC-1768 QC-10854 TC-155505 5-fluoro-2-methyl-3-(2-quinolinylmethyl)-1H-Indole-1-acetic acid AM20120668 BDBM50296977 DA-18057 KB-79648 OC-459 SB16523 Y0372 04XB9TB8OL 851723-84-7, 950688-14-9 (sodium salt) AB0035922 AX8237454 CHEMBL560993 EX-A090 OC 000459 OC459 ST24039501 2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetic Acid AK-97093 BCP0726000084 CTK8C1481 HMS3651F15 OC-2125 S-7796 timapiprant ANW-66760 C21H17FN2O2 DB11900 MolPort-023-219-145 OC-499 SC-93534 ZINC43120334 1H-Indole-1-acetic acid, 5-fluoro-2-methyl-3-(2-quinolinylmethyl)- ABP001054 BC600559 CRTH2 antagonists (asthma/allergy), Oxagen FT-0729718 OC-000459 ODC-9101 SW219412-1 4CA-0934 AKOS016007630 BCP9001018 D0X7EG HY-15342 OC-2184 s2822 UNII-04XB9TB8OL (5-Fluoro-2-methyl-3-quinolin-2-ylmethylindo-1-yl)-acetic acid [ Show all ]
Inchi Key	FATGTHLOZSXOBC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)
PubChem CID	11462174
ChEMBL	CHEMBL560993
IUPHAR	9277
BindingDB	50296977
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<100000.0 nM	PMID19608418	BindingDB,ChEMBL

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