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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	MLS002702136
Molecular formula	C16H10BrNO2
IUPAC name	(3Z)-5-bromo-3-phenacylidene-1H-indol-2-one
Molecular weight	328.165
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.1
Synonyms	5-Bromo-3-(2-oxo-2-phenylethylidene)- 1,3-dihydroindol-2-one CCG-35540 ST50994796 cid_5477132 3-Phenacyliden-5-brom-2-indolinon AKOS024363377 NSC294961 5-bromo-3-(2-oxo-2-phenylethylidene)-1H-benzo[d]azolin-2-one ZINC18101382 (3Z)-5-bromo-3-phenacylidene-1H-indol-2-one 70452-30-1 5-Bromo-3-(2-oxo-2-phenyl-ethylidene)-1,3-dihydro-indol-2-one BDBM50154618 SMR001565701 5-bromo-3-(2-oxo-2-phenylethylidene)indolin-2-one CHEMBL363491 2H-Indol-2-one,3-dihydro-3-(2-oxo-2-phenylethylidene)- AC1NUFV0 NSC-294961 [ Show all ]
Inchi Key	AZHMGLXVLSUTGY-LCYFTJDESA-N
Inchi ID	InChI=1S/C16H10BrNO2/c17-11-6-7-14-12(8-11)13(16(20)18-14)9-15(19)10-4-2-1-3-5-10/h1-9H,(H,18,20)/b13-9-
PubChem CID	5477132
ChEMBL	CHEMBL363491
IUPHAR	N/A
BindingDB	50154618
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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