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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	SMR000196568
Molecular formula	C18H16BrNO4S
IUPAC name	[4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate
Molecular weight	422.293
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.5
Synonyms	ZINC8433181 AC1NWREJ MLS000575334 (E)-4-bromo-2-(3-(thiophen-2-yl)acryloyl)phenyl morpholine-4-carboxylate morpholine-4-carboxylic acid [4-bromo-2-[(E)-3-(2-thienyl)acryloyl]phenyl] ester SR-01000683255-2 4-bromo-2-[3-(2-thienyl)acryloyl]phenyl 4-morpholinecarboxylate F1190-0638 [4-bromanyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate AKOS002163910 MLS002540990 1164454-63-0 CHEMBL1502227 STK855939 4-morpholinecarboxylic acid [4-bromo-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]phenyl] ester HMS2331M24 [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate BDBM78150 MolPort-000-424-572 4-bromo-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl morpholine-4-carboxylate cid_5734364 SR-01000683255 [ Show all ]
Inchi Key	AFXMPUQPBNHIHU-SNAWJCMRSA-N
Inchi ID	InChI=1S/C18H16BrNO4S/c19-13-3-6-17(24-18(22)20-7-9-23-10-8-20)15(12-13)16(21)5-4-14-2-1-11-25-14/h1-6,11-12H,7-10H2/b5-4+
PubChem CID	5734364
ChEMBL	CHEMBL1502227
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	28183.8 nM	PubChem BioAssay data set	ChEMBL

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