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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	thromboxane A2
Molecular formula	C20H32O5
IUPAC name	(Z)-7-[(1S,3R,4S,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-2,6-dioxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
Molecular weight	352.471
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.4
Synonyms	(5Z,13E)-(15S)-9,11-epoxy-15-hydroxythromba-5,13-dienoate (5Z,13E,15S)-9alpha,11alpha-epoxy-15-hydroxythromboxa-5,13-dien-1-oic acid 4C2A5G825S 7928-EP2316824A1 CMC_9718 SCHEMBL34165 (5Z,13E)-(15S)-9-alpha,11-alpha-Epoxy-15-hydroxythromboxa-5,13-dienoic acid (5Z,9alpha,11alpha,13E,15S)-9,11-Epoxy-15-hydroxythromboxa-5,13-dien-1-oate 5-Heptenoic acid, 7-[3-(3-hydroxy-1-octenyl)-2,6-dioxabicyclo[3.1.1]hept-4-yl]-, [1S-[1alpha,3alpha(1E,3R),4beta(Z),5alpha]]- 9S,11S-epoxy,15S-hydroxy-thromboxa-5Z,13E-dien-1-oic acid GTPL4482 TXA-2 (5Z)-7-[(1S,3R,4S,5S)-3-[(1E,3S)-3-hydroxy-1-octenyl]-2,6-dioxabicyclo[3.1.1]hept-4-yl]-5-Heptenoate (5Z,13E)-(15S)-9alpha,11alpha-Epoxy-15-hydroxythromboxa-5,13-dienoate (Z)-7-[(1S,2S,3R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-4,7-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid 7-[3-(3-hydroxy-1-octenyl)-2,6-dioxabicyclo[3.1.1]hept-4-yl]-[1S-[1alpha,3alpha(1E,3R),4beta(Z),5alpha]]-5-Heptenoic acid CAS_57576-52-0 Rabbit aorta contracting substance ZINC4095825 (5Z,13E)-(15S)-9,11-epoxy-15-hydroxythromba-5,13-dienoic acid (5Z,9alpha,11alpha,13E,15S)-9,11-epoxy-15-hydroxy-Thromboxa-5,13-dien-1-oate 5-Heptenoic acid, 7-(3-(3-hydroxy-1-octenyl)-2,6-dioxabicyclo(3.1.1)hept-4-yl)-, (1S-(1alpha,3alpha,3R),4beta(Z),5alpha)- D0HH6A Thromboxa-5,13-dien-1-oic acid, 9,11-epoxy-15-hydroxy-, (5Z,9alpha,11alpha,13E,15S)- (1S-(1alpha,3alpha,3R),4beta(Z),5alpha)-7-(3-(3-hydroxy-1-octenyl)-2,6-dioxabicyclo(3.1.1)hept-4-yl)-5-Heptenoate (5Z,13E)-(15S)-9a,11a-epoxy-15-Hydroxythromboxa-5,13-dienoate (5Z,9alpha,11alpha,13E,15S)-9,11-Epoxy-15-hydroxythromboxa-5,13-dien-1-oic acid 57576-52-0 BDBM82229 LMFA03030001 TXA2 (5Z)-7-[(1S,3R,4S,5S)-3-[(1E,3S)-3-hydroxy-1-octenyl]-2,6-dioxabicyclo[3.1.1]hept-4-yl]-5-Heptenoic acid (5Z,13E)-(15S)-9alpha,11alpha-epoxy-15-hydroxythromboxa-5,13-dienoic acid 2,6-Dioxabicyclo[3.1.1]heptane, thromboxa-5,13-dien-1-oic acid deriv. 7928-EP2272832A1 CHEBI:15627 RCS (5Z,13E)-(15S)-9-alpha,11-alpha-epoxy-15-hydroxythromboxa-5,13-dienoate (5Z,9alpha,11alpha,13E,15S)-9,11-epoxy-15-hydroxy-Thromboxa-5,13-dien-1-oic acid 5-Heptenoic acid, 7-[(1S,3R,4S,5S)-3-[(1E,3S)-3-hydroxy-1-octenyl]-2,6-dioxabicyclo[3.1.1]hept-4-yl]-, (5Z)- 9S,11S-epoxy,15S-hydroxy-thromboxa-5Z,13E-dien-1-oate DSNBHJFQCNUKMA-SCKDECHMSA-N (1S-(1alpha,3alpha,3R),4beta(Z),5alpha)-7-(3-(3-hydroxy-1-octenyl)-2,6-dioxabicyclo(3.1.1)hept-4-yl)-5-Heptenoic acid (5Z,13E)-(15S)-9a,11a-epoxy-15-Hydroxythromboxa-5,13-dienoic acid (5Z,9alpha,11alpha,13E,15S)-9,11-epoxy-15-hydroxythromboxa-5,13-dien-1-oic acid, [1S-[1alpha,3alpha-(1E,3R)4beta(Z),5alpha]]-7-[3-(3-hydroxy-1-octenyl)-2,6-dioxabicyclo[3.1.1]hept-4-yl]-5-heptenoic a 7-[3-(3-hydroxy-1-octenyl)-2,6-dioxabicyclo[3.1.1]hept-4-yl]-[1S-[1alpha,3alpha(1E,3R*),4beta(Z),5alpha]]-5-Heptenoate C02198 LS-185907 UNII-4C2A5G825S [ Show all ]
Inchi Key	DSNBHJFQCNUKMA-SCKDECHMSA-N
Inchi ID	InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1
PubChem CID	5280497
ChEMBL	N/A
IUPHAR	N/A
BindingDB	82229
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	1300.0 nM	PMID6317122	BindingDB

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