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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	MLS000058422
Molecular formula	C15H19ClN2O3
IUPAC name	[2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
Molecular weight	310.778
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.4
Synonyms	AKOS033620448 MLS002633704 [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-cyclopentylpropanoate 3-cyclopentylpropanoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester CHEMBL1542860 SR-01000055397 762251-06-9 MCULE-9226800238 ZINC2623125 BDBM31011 MolPort-004-047-917 [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate 3-cyclopentylpropionic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester cid_2085057 SR-01000055397-1 AC1M0XC0 [(5-chloropyridin-2-yl)carbamoyl]methyl 3-cyclopentylpropanoate SMR000064084 HMS2404C05 Z18433691 [ Show all ]
Inchi Key	CFPAPTHPFYHAJT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H19ClN2O3/c16-12-6-7-13(17-9-12)18-14(19)10-21-15(20)8-5-11-3-1-2-4-11/h6-7,9,11H,1-5,8,10H2,(H,17,18,19)
PubChem CID	2085057
ChEMBL	CHEMBL1542860
IUPHAR	N/A
BindingDB	31011
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	446.7 nM	PubChem BioAssay data set	ChEMBL

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