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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	MLS000834649
Molecular formula	C22H22N4O4
IUPAC name	benzyl (2S)-2-[[5-(methylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenylpropanoate
Molecular weight	406.442
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	2.7
Synonyms	(2S)-2-[[[5-(methylcarbamoyl)-1H-imidazol-4-yl]-oxomethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester HMS2227J09 BDBM47504 CHEMBL1467763 (phenylmethyl) (2S)-2-[[5-(methylcarbamoyl)-1H-imidazol-4-yl]carbonylamino]-3-phenyl-propanoate benzyl (2S)-2-[[5-(methylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenylpropanoate (2S)-2-[[5-(methylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenyl-propionic acid benzyl ester cid_16196420 SMR000391231 [ Show all ]
Inchi Key	BHYZKAIIAPSNJI-KRWDZBQOSA-N
Inchi ID	InChI=1S/C22H22N4O4/c1-23-20(27)18-19(25-14-24-18)21(28)26-17(12-15-8-4-2-5-9-15)22(29)30-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,23,27)(H,24,25)(H,26,28)/t17-/m0/s1
PubChem CID	16196420
ChEMBL	CHEMBL1467763
IUPHAR	N/A
BindingDB	47504
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	56234.1 nM	PubChem BioAssay data set	ChEMBL

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