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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	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	Inolin
Molecular formula	C19H23NO5
IUPAC name	1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Molecular weight	345.395
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	2.5
Synonyms	TMQ, Racemic 1-(3,4,5-Trimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol # AC1L1KNZ PDSP2_000585 Trimetoquinol HCl (+/-)-Trimetoquinol 1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol BDBM50019355 CTK4C2838 RGVPOXRFEPSFGH-UHFFFAOYSA-N 1-(3',4',5'-trimethoxybenzyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline LS-173897 Tretoquinol [MI] 1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol AC1Q56F8 R(+)-TMQ (+_)-1,2,3,4-Tetrahydro-1-[(3,4,5-trimethoxyphenyl)methyl]-6,7-isoquinolinediol 14187-92-9 DL-Trimetoquinol SCHEMBL249002 1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-isoquinoline-6,7-diol 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-((3,4,5-trimethoxyphenyl)methyl)- PDSP1_000588 Tretoquinol, (+/-)- (+/-)-6,7-Dihydroxy-1-(3',4',5'-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline 1-(3,4,5-Trimethoxybenzyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline AQ-110 CHEMBL299175 Racemic-trimetoquinol 21650-42-0 [ Show all ]
Inchi Key	RGVPOXRFEPSFGH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
PubChem CID	5581
ChEMBL	CHEMBL299175
IUPHAR	N/A
BindingDB	50019355
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID6317122	BindingDB

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