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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	AC1LWMA3
Molecular formula	C17H19NO3
IUPAC name	1-(5-butyl-2,4-dihydroxyphenyl)-2-pyridin-2-ylethanone
Molecular weight	285.343
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.9
Synonyms	Oprea1_104638 1-(5-butyl-2,4-dihydroxyphenyl)-2-pyridin-2-ylethanone HMS2878O03 SR-01000005150 AC1Q2VDQ MLS001164253 ZINC2097467 1-(5-butyl-2,4-dihydroxyphenyl)-2-(pyridin-2-yl)ethan-1-one CHEMBL1890970 SCHEMBL5311650 299951-44-3 IDI1_008599 SR-01000005150-1 AKOS030488785 MolPort-001-801-410 1-(5-butyl-2,4-dihydroxyphenyl)-2-(pyridin-2-yl)ethanone HMS1413B06 SMR000539642 IFLab1_000380 STL512956 [ Show all ]
Inchi Key	ABKKFERIXUERCT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19NO3/c1-2-3-6-12-9-14(17(21)11-15(12)19)16(20)10-13-7-4-5-8-18-13/h4-5,7-9,11,19,21H,2-3,6,10H2,1H3
PubChem CID	1753673
ChEMBL	CHEMBL1890970
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	125892.0 nM	PubChem BioAssay data set	ChEMBL

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