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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	(2S,3S)-2-(carbamoylamino)-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
Molecular formula	C14H20ClN3O3
IUPAC name	(2S,3S)-2-(carbamoylamino)-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
Molecular weight	313.782
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.3
Synonyms	AKOS034827305 SR-01000055897 HMS2700G17 ZINC2653693 956714-31-1 MolPort-004-049-939 SR-01000055897-1 MCULE-2521112278 AC1M2H8G SMR000343428 CHEMBL1300708 Z57008610 MLS000517423 [ Show all ]
Inchi Key	AFTUNNHXEDADOZ-UFBFGSQYSA-N
Inchi ID	InChI=1S/C14H20ClN3O3/c1-4-8(2)12(18-14(16)20)13(19)17-9-5-6-11(21-3)10(15)7-9/h5-8,12H,4H2,1-3H3,(H,17,19)(H3,16,18,20)/t8-,12-/m0/s1
PubChem CID	2117114
ChEMBL	CHEMBL1300708
IUPHAR	N/A
BindingDB	N/A
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	14125.4 nM	PubChem BioAssay data set	ChEMBL

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