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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	CHEMBL1395346
Molecular formula	C24H23FN2O4
IUPAC name	1-[(4-fluorophenyl)methyl]-3-[[2-(furan-2-yl)ethylamino]methyl]-6-methoxyindole-2-carboxylic acid
Molecular weight	422.456
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	1.7
Synonyms	E518-0998 MolPort-010-972-659 SR-01000149610-1 HMS1863N05 NCGC00122106-01 1-(4-fluorobenzyl)-3-({[2-(2-furyl)ethyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid ZINC6794654 MCULE-8142552248 SR-01000149610 AKOS021664195 [ Show all ]
Inchi Key	ABLQGYDUQFACHG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23FN2O4/c1-30-19-8-9-20-21(14-26-11-10-18-3-2-12-31-18)23(24(28)29)27(22(20)13-19)15-16-4-6-17(25)7-5-16/h2-9,12-13,26H,10-11,14-15H2,1H3,(H,28,29)
PubChem CID	16018693
ChEMBL	CHEMBL1395346
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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