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GLASS

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GPCR

Name	Parathyroid hormone/parathyroid hormone-related peptide receptor
Species	Homo sapiens (Human)
Gene	PTH1R
Synonym	PTH1 receptor PTHR PTH/PTHrP type I receptor PTH/PTHr receptor PPR Parathyroid hormone 1 receptor PTHR1 [ Show all ]
Disease	N/A
Length	593
Amino acid sequence	MGTARIAPGLALLLCCPVLSSAYALVDADDVMTKEEQIFLLHRAQAQCEKRLKEVLQRPASIMESDKGWTSASTSGKPRKDKASGKLYPESEEDKEAPTGSRYRGRPCLPEWDHILCWPLGAPGEVVAVPCPDYIYDFNHKGHAYRRCDRNGSWELVPGHNRTWANYSECVKFLTNETREREVFDRLGMIYTVGYSVSLASLTVAVLILAYFRRLHCTRNYIHMHLFLSFMLRAVSIFVKDAVLYSGATLDEAERLTEEELRAIAQAPPPPATAAAGYAGCRVAVTFFLYFLATNYYWILVEGLYLHSLIFMAFFSEKKYLWGFTVFGWGLPAVFVAVWVSVRATLANTGCWDLSSGNKKWIIQVPILASIVLNFILFINIVRVLATKLRETNAGRCDTRQQYRKLLKSTLVLMPLFGVHYIVFMATPYTEVSGTLWQVQMHYEMLFNSFQGFFVAIIYCFCNGEVQAEIKKSWSRWTLALDFKRKARSGSSSYSYGPMVSHTSVTNVGPRVGLGLPLSPRLLPTATTNGHPQLPGHAKPGTPALETLETTPPAMAAPKDDGFLNGSCSGLDEEASGPERPPALLQEEWETVM
UniProt	Q03431
Protein Data Bank	6fj3, 3h3g, 3c4m
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 6fj3.
BioLiP	BL0161387, BL0433539,BL0433540, BL0161388, BL0143680,BL0143682, BL0143681,BL0143683
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1793
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	U 46619
Molecular formula	C21H34O4
IUPAC name	(Z)-7-[(1R,4S,5S,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
Molecular weight	350.499
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.9
Synonyms	5-Heptenoic acid, 7-(6-(3-hydroxy-1-octenyl)-2-oxabicyclo(2.2.1)hept-5-yl)-, (1R-(1-alpha,4-alpha,5-beta(Z),6-alpha(1E,3S*)))- 9alpha,11alpha-Methanoepoxy-PGF2alpha HMS1989M16 NCGC00161291-03 [3H]U 46619 9,11-dideoxy-9.alpha.,11.alpha.-methanoepoxyprostaglandin F2alpha AKOS024456866 D0Y6OL IDI1_034004 SMR000058897 (Z)-7-[(1S,4R,5R,6S)-5-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid 9,11-Methanoepoxy PGH2 BRD-K18757346-001-02-9 HMS1361M16 NCGC00161291-01 U46619 9alpha-PGM CHEMBL521784 HMS2234N20 Opera_ID_380 [3H]U46619 (5Z)-7-[(1R,4S,5S,6R)-6-[(1E,3S)-3-Hydroxy-1-octenyl]-2-oxabicyclo[2.2.1]hept-5-yl]-5-heptenoic acid 11-9 EM 9,11-Dideoxy-9a,11a-methanoepoxy prostaglandin F2a BDBM50292409 GTPL1888 MLS000028857 9a,11a-Methanoepoxy-15-hydroxyprosta-5,13-dienoic acid BSPBio_001534 HMS1791M16 NCGC00161291-02 ZINC8716754 56985-40-1 9salpha,11alpha-Methanoepoxy-PGF2alpha D03PLH HMS3402M16 SCHEMBL12272421 (Z)-7-((1R,4S,5S,6R)-6-((S,E)-3-hydroxyoct-1-enyl)-2-oxabicyclo[2.2.1]heptan-5-yl)hept-5-enoic acid 11alpha,9alpha-epoxymethano-PGH2 9,11-Dideoxy-9alpha,11alpha-methanoepoxy PGF2alpha BML1-G04 GTPL1974 MolPort-019-939-222 U-46619 [ Show all ]
Inchi Key	LQANGKSBLPMBTJ-BRSNVKEHSA-N
Inchi ID	InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1
PubChem CID	5311493
ChEMBL	CHEMBL521784
IUPHAR	1888, 1974
BindingDB	50292409
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	4466.8 nM	PubChem BioAssay data set	ChEMBL

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