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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	MLS001242636
Molecular formula	C31H51N3
IUPAC name	(2S)-2-N-[(2S)-2-[2-(1-adamantyl)ethylamino]-3-phenylpropyl]-3-cyclohexyl-1-N-methylpropane-1,2-diamine
Molecular weight	465.77
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	7.9
Synonyms	(2S)-N2-[(2S)-2-[2-(1-adamantyl)ethylamino]-3-phenylpropyl]-3-cyclohexyl-N1-methylpropane-1,2-diamine BDBM51930 (2S)-2-N-[(2S)-2-[2-(1-adamantyl)ethylamino]-3-phenylpropyl]-3-cyclohexyl-1-N-methylpropane-1,2-diamine cid_24792594 2-(1-adamantyl)ethyl-[(1S)-1-benzyl-2-[[(1S)-1-(cyclohexylmethyl)-2-(methylamino)ethyl]amino]ethyl]amine REGID_for_CID_24792594 (2S)-N2-[(2S)-2-[2-(1-adamantyl)ethylamino]-3-phenyl-propyl]-3-cyclohexyl-N1-methyl-propane-1,2-diamine HMS2220N24 SMR000673953 CHEMBL1491847 [ Show all ]
Inchi Key	GQKCBYFGTYNZCM-XGGBRTKESA-N
Inchi ID	InChI=1S/C31H51N3/c1-32-22-29(17-24-8-4-2-5-9-24)34-23-30(18-25-10-6-3-7-11-25)33-13-12-31-19-26-14-27(20-31)16-28(15-26)21-31/h3,6-7,10-11,24,26-30,32-34H,2,4-5,8-9,12-23H2,1H3/t26?,27?,28?,29-,30-,31?/m0/s1
PubChem CID	24792594
ChEMBL	CHEMBL1491847
IUPHAR	N/A
BindingDB	51930
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	44668.4 nM	PubChem BioAssay data set	ChEMBL

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