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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	MLS001100829
Molecular formula	C25H26FN3O3
IUPAC name	1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidine-4-carboxamide
Molecular weight	435.499
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.0
Synonyms	1-(3-fluoro-4-methoxy-benzyl)-N-(6-phenoxy-3-pyridyl)isonipecotamide CHEMBL1583610 1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)-4-piperidinecarboxamide MCULE-8463648328 BDBM97152 SR-01000828872 1-(3-fluoro-4-methoxybenzyl)-N-(6-phenoxy-3-pyridinyl)-4-piperidinecarboxamide cid_24819426 1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidine-4-carboxamide SR-01000828872-2 1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidine-4-carboxamide HMS2990L09 SMR000669993 [ Show all ]
Inchi Key	GMHPZRMQPJRBMJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H26FN3O3/c1-31-23-9-7-18(15-22(23)26)17-29-13-11-19(12-14-29)25(30)28-20-8-10-24(27-16-20)32-21-5-3-2-4-6-21/h2-10,15-16,19H,11-14,17H2,1H3,(H,28,30)
PubChem CID	24819426
ChEMBL	CHEMBL1583610
IUPHAR	N/A
BindingDB	97152
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	8912.5 nM	PubChem BioAssay data set	ChEMBL

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