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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	AC1LRTXJ
Molecular formula	C21H20BrN3O2
IUPAC name	4-bromo-N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
Molecular weight	426.314
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.8
Synonyms	ZINC17888955 MLS000716411 4-Bromo-N-cyclopentyl-N-(4-oxo-3,4-dihydro-quinazolin-2-ylmethyl)-benzamide AKOS000761334 CHEMBL1423439 4-bromo-N-cyclopentyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide SMR000277928 ASN 05812565 HMS2632G12 [ Show all ]
Inchi Key	AFRKXFPBSFJILQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20BrN3O2/c22-15-11-9-14(10-12-15)21(27)25(16-5-1-2-6-16)13-19-23-18-8-4-3-7-17(18)20(26)24-19/h3-4,7-12,16H,1-2,5-6,13H2,(H,23,24,26)
PubChem CID	135417641
ChEMBL	CHEMBL1423439
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	15848.9 nM	PubChem BioAssay data set	ChEMBL

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