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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	UNII-B5J9G2N18M
Molecular formula	C22H38O5
IUPAC name	(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular weight	382.541
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	3.6
Synonyms	16,16-Dimethyl PGF2 alpha 7-[(1R,2R,4S,5R)-3,5-Dihydroxy-2-((E)-(R)-3-hydroxy-4,4-dimethyl-oct-1-enyl)-cyclopentyl]-hept-5-enoic acid MolPort-027-640-946 16,16-Dimethyl-pgf2alpha B5J9G2N18M SR-01000946501-1 (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoic acid 39746-23-1 CHEMBL40183 ZINC29323758 16,16-dimethyl PGF2alpha 9.alpha.,11.alpha.,15R-Trihydroxy-16,16-dimethyl-prosta-5Z,13E-dien-1-oic acid SCHEMBL3366405 (5Z,9alpha,11alpha,13E,15S)-9,11,15-Trihydroxy-16,16-dimethylprosta-5,13-dien-1-oic acid 16,16-Dimethylprostaglandin F2.alpha. BDBM50090136 1253AH HMS3648F22 16,16-Dimethyl prostaglandin F2alpha AC1O5VMB SR-01000946501 (Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((E)-(R)-3-hydroxy-4,4-dimethyl-oct-1-enyl)-cyclopentyl]-hept-5-enoic acid 16,16-Dimethylprostaglandin F2alpha YMRWVEHSLXJOCD-SCOYTADVSA-N [ Show all ]
Inchi Key	YMRWVEHSLXJOCD-SCOYTADVSA-N
Inchi ID	InChI=1S/C22H38O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-20,23-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,18+,19-,20-/m1/s1
PubChem CID	6441607
ChEMBL	CHEMBL40183
IUPHAR	N/A
BindingDB	50090136
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	770.0 nM	PMID6317122	BindingDB

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