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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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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	3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}phenol
Molecular formula	C20H14N4O3
IUPAC name	3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]phenol
Molecular weight	358.357
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.9
Synonyms	432500-27-1 cid_1187240 Neuro1_000607 STK842858 AKOS000273163 MCULE-5701514169 SBB015496 3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]phenol CHEMBL1523597 MolPort-000-793-434 SR-01000488564-1 HMS2880I15 Oprea1_192951 ZINC16994048 BDBM58429 MLS001196791 SMR000555962 ChemDiv1_009745 NCGC00274817-01 ST50192043 AB00830638-07 HMS614K21 Oprea1_672062 3-[[2-(4-nitrophenyl)-4-quinazolinyl]amino]phenol MolPort-000-663-853 SR-01000488564 [ Show all ]
Inchi Key	CWTDCUNNIJYHKP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H14N4O3/c25-16-5-3-4-14(12-16)21-20-17-6-1-2-7-18(17)22-19(23-20)13-8-10-15(11-9-13)24(26)27/h1-12,25H,(H,21,22,23)
PubChem CID	1187240
ChEMBL	CHEMBL1523597
IUPHAR	N/A
BindingDB	58429
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	50118.7 nM	PubChem BioAssay data set	ChEMBL

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