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GLASS

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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	VAPIPROST
Molecular formula	C30H39NO4
IUPAC name	(Z)-7-[(1R,2R,3S,5S)-3-hydroxy-5-[(4-phenylphenyl)methoxy]-2-piperidin-1-ylcyclopentyl]hept-4-enoic acid
Molecular weight	477.645
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.8
Synonyms	AC1OCEXR GR 32191 SN-309 (Z)-7-[(1R,2R,3S,5S)-5-(Biphenyl-4-ylmethoxy)-3-hydroxy-2-piperidin-1-yl-cyclopentyl]-hept-4-enoic acid BRD-K02283807-003-01-4 GR32191 Vapiprost [INN:BAN] D03ZVW NCGC00025325-02 ZINC13719916 AKOS027378112 GR-32191 UNII-H84XT1COAU GTPL1976 Vapiprostum 85505-64-2 DTXSID6048256 SCHEMBL28550 (Z)-7-[(1R,2R,3S,5S)-3-hydroxy-5-[(4-phenylphenyl)methoxy]-2-piperidin-1-ylcyclopentyl]hept-4-enoic acid BDBM50283049 GR-32191B 4-Heptenoic acid, 7-(5-((1,1'-biphenyl)-4-ylmethoxy)-3-hydroxy-2-(1-piperidinyl)cyclopentyl)-, (1R-(1alpha(Z),2beta,3beta,5alpha))- CHEMBL65030 H84XT1COAU Vapiprostum [Latin] [ Show all ]
Inchi Key	GQGRDYWMOPRROR-XUSMOFMBSA-N
Inchi ID	InChI=1S/C30H39NO4/c32-27-21-28(35-22-23-15-17-25(18-16-23)24-11-5-3-6-12-24)26(13-7-1-2-8-14-29(33)34)30(27)31-19-9-4-10-20-31/h1-3,5-6,11-12,15-18,26-28,30,32H,4,7-10,13-14,19-22H2,(H,33,34)/b2-1-/t26-,27-,28-,30+/m0/s1
PubChem CID	6918030
ChEMBL	CHEMBL65030
IUPHAR	1976
BindingDB	50283049
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	12.5893 nM	PMID9313928	IUPHAR

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