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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	SMR000060129
Molecular formula	C19H20N2O5
IUPAC name	ethyl 5-[5-(2,4-dihydroxy-5-propylphenyl)-1H-pyrazol-4-yl]furan-2-carboxylate
Molecular weight	356.378
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	3.8
Synonyms	5-[(3Z)-3-(4-hydroxy-6-oxo-3-propyl-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazol-4-yl]-2-furancarboxylic acid ethyl ester CHEMBL1541596 MLS000055604 Oprea1_690537 AC1OA5YE ethyl 5-[(3Z)-3-(4-oxidanyl-6-oxidanylidene-3-propyl-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]furan-2-carboxylate ZINC13126196 BDBM61793 HMS1768L06 cid_5428930 MLS002637231 SCHEMBL14396168 AC1Q2USO ethyl 5-[3-(2,4-dihydroxy-5-propylphenyl)-1H-pyrazol-4-yl]furan-2-carboxylate 5-[(3Z)-3-(4-hydroxy-6-keto-3-propyl-cyclohexa-2,4-dien-1-ylidene)-3-pyrazolin-4-yl]furan-2-carboxylic acid ethyl ester HMS2488F16 AC1NTFTA ethyl 5-[(3Z)-3-(4-hydroxy-6-oxo-3-propylcyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]furan-2-carboxylate Oprea1_317137 AKOS001036615 ethyl 5-[3-(4-hydroxy-6-oxo-3-propylcyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]furan-2-carboxylate [ Show all ]
Inchi Key	HKTSJOVFAVYHKL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H20N2O5/c1-3-5-11-8-12(15(23)9-14(11)22)18-13(10-20-21-18)16-6-7-17(26-16)19(24)25-4-2/h6-10,22-23H,3-5H2,1-2H3,(H,20,21)
PubChem CID	984148
ChEMBL	CHEMBL1541596
IUPHAR	N/A
BindingDB	61793
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	44668.4 nM	PubChem BioAssay data set	ChEMBL

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