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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	SMR000019649
Molecular formula	C25H29N3O4S
IUPAC name	ethyl 1-[[2-(furan-2-carbonylamino)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethyl]piperidine-4-carboxylate
Molecular weight	467.584
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.1
Synonyms	AKOS000808919 ethyl 1-[[2-(furan-2-carbonylamino)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethyl]piperidine-4-carboxylate MLS000085109-02 1-[[2-(2-furoylamino)-4,5-dimethyl-3-thienyl]-(3-pyridyl)methyl]isonipecotic acid ethyl ester ethyl 1-{[2-(2-furylcarbonylamino)-4,5-dimethyl(3-thienyl)]-3-pyridylmethyl}pi peridine-4-carboxylate 618404-65-2 ethyl 1-((2-(furan-2-carboxamido)-4,5-dimethylthiophen-3-yl)(pyridin-3-yl)methyl)piperidine-4-carboxylate MCULE-3983104503 AKOS016074485 ethyl 1-[[2-(furan-2-ylcarbonylamino)-4,5-dimethyl-thiophen-3-yl]-pyridin-3-yl-methyl]piperidine-4-carboxylate MLS002585297 1-[[2-[[2-furanyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenyl]-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid ethyl ester CHEMBL1477013 F1396-0115 ST50073017 AC1MMWBN ethyl 1-[[2-(2-furoylamino)-4,5-dimethylthien-3-yl](pyridin-3-yl)methyl]piperidine-4-carboxylate MLS000085109 BDBM31031 ethyl 1-[{2-[(furan-2-ylcarbonyl)amino]-4,5-dimethylthiophen-3-yl}(pyridin-3-yl)methyl]piperidine-4-carboxylate MolPort-000-226-593 cid_3245442 HMS2427I04 STL487521 [ Show all ]
Inchi Key	FYETUTFFCYTDPF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H29N3O4S/c1-4-31-25(30)18-9-12-28(13-10-18)22(19-7-5-11-26-15-19)21-16(2)17(3)33-24(21)27-23(29)20-8-6-14-32-20/h5-8,11,14-15,18,22H,4,9-10,12-13H2,1-3H3,(H,27,29)
PubChem CID	3245442
ChEMBL	CHEMBL1477013
IUPHAR	N/A
BindingDB	31031
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	25118.9 nM	PubChem BioAssay data set	ChEMBL

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