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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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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	Dibromosalicil
Molecular formula	C14H8Br2O4
IUPAC name	1,2-bis(5-bromo-2-hydroxyphenyl)ethane-1,2-dione
Molecular weight	400.022
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.7
Synonyms	Dibromsalicil Fungotox (VAN) Salicil, 5,5'-dibromo- 5,2'-dihydroxybibenzoyl 639B873 BRN 3384611 DTXSID20200328 MLS002638309 SMR001547796 1,2-bis(5-bromo-2-hydroxyphenyl)-1,2-ethanedione 5,5'-Dibrom-2,2'-dioxybenzil [German] AKOS027382229 cid_10662 Ethanedione, bis(5-bromo-2-hydroxyphenyl)- (9CI) NSC13235 Z2V3FF4B7F 5,5'-Dibromosalicil Bis(5-bromo-2-hydroxyphenyl)ethanedione Dibrosal HMS3086D19 Salicil,5'-dibromo- 5,2'-dioxybenzil AC1L1VOE CTK8J0096 EINECS 208-351-3 NSC 13235 UNII-Z2V3FF4B7F 1,2-bis(5-bromo-2-hydroxyphenyl)ethane-1,2-dione 5,5'-Dibromo-2,2'-dihydroxybenzil BDBM22753 Dibromosalicyl Fungotox Respectol ZINC1683334 5,2'-dihydroxybenzil 523-88-6 Bis-(5-brom-2-hydroxyphenyl)ethandion Dibrosil LS-144117 SCHEMBL2156880 1,2-bis(5-bromo-2-hydroxy-phenyl)ethane-1,2-dione 5,5'-Dibrom-2,2'-dioxybenzil ACM523886 CHEMBL366205 Degermon Ethanedione, bis(5-bromo-2-hydroxyphenyl)- NSC-13235 WLN: QR DE BVVR BQ EE 1,2-Bis-(5-bromo-2-hydroxy-phenyl)-ethane-1,2-dione 5,5'-Dibromo-2,2'-dihydroxybibenzoyl Benzil-based compound, 31 [ Show all ]
Inchi Key	AAOYLOCWJSLLJU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H8Br2O4/c15-7-1-3-11(17)9(5-7)13(19)14(20)10-6-8(16)2-4-12(10)18/h1-6,17-18H
PubChem CID	10662
ChEMBL	CHEMBL366205
IUPHAR	N/A
BindingDB	22753
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	7943.3 nM	PubChem BioAssay data set	ChEMBL

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