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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	MLS001007554
Molecular formula	C25H29NO2
IUPAC name	1-(1-phenylbutylamino)-3-(4-phenylphenoxy)propan-2-ol
Molecular weight	375.512
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	5.3
Synonyms	1-(1-phenylbutylamino)-3-(4-phenylphenoxy)-2-propanol CHEMBL1519411 852388-34-2 MCULE-3985684671 BDBM68147 SMR000384678 1-(1-phenylbutylamino)-3-(4-phenylphenoxy)propan-2-ol cid_4840816 AC1NJ2Y0 Z68565788 1-{[1,1'-biphenyl]-4-yloxy}-3-[(1-phenylbutyl)amino]propan-2-ol HMS2696E10 AKOS034528880 MolPort-005-841-352 [ Show all ]
Inchi Key	AGQLYJCLKLLNDY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H29NO2/c1-2-9-25(22-12-7-4-8-13-22)26-18-23(27)19-28-24-16-14-21(15-17-24)20-10-5-3-6-11-20/h3-8,10-17,23,25-27H,2,9,18-19H2,1H3
PubChem CID	4840816
ChEMBL	CHEMBL1519411
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	50118.7 nM	PubChem BioAssay data set	ChEMBL

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