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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	MLS000830224
Molecular formula	C15H8BrF6NO
IUPAC name	N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide
Molecular weight	412.129
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.2
Synonyms	Cyto4F6 SMR000458145 AC1MDFH4 CHEMBL1323248 N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide HMS2808F16 ZINC12340415 BDBM58215 MolPort-002-900-399 cid_2810429 SCHEMBL14785061 MCULE-5515173346 N-[4-bromanyl-3-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide [ Show all ]
Inchi Key	ABFFAXAUDJIANV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H8BrF6NO/c16-12-6-5-10(7-11(12)15(20,21)22)23-13(24)8-1-3-9(4-2-8)14(17,18)19/h1-7H,(H,23,24)
PubChem CID	2810429
ChEMBL	CHEMBL1323248
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	17782.8 nM	PubChem BioAssay data set	ChEMBL

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