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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	MLS000774474
Molecular formula	C17H14N2O3
IUPAC name	(E)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoic acid
Molecular weight	294.31
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.0
Synonyms	(2E)-3-[3-(5-methylfuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid AKOS001011729 HMS2698D07 (E)-3-[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid NE38446 AC1LGTLZ EN300-16875 SR-01000222325-1 (E)-3-[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid BDBM54753 (E)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoic acid CHEMBL1562523 SMR000371756 (2E)-3-[3-(5-methyl-2-furyl)-1-phenyl-1H-pyrazol-4-yl]acrylic acid AC1Q2MPA HMS1398D12 ZINC445276 (E)-3-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]acrylic acid CHEBI:105691 MolPort-002-470-375 3-[3-(5-methylfuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid cid_876610 SR-01000222325 [ Show all ]
Inchi Key	AIFVXBUWNSFCAJ-CSKARUKUSA-N
Inchi ID	InChI=1S/C17H14N2O3/c1-12-7-9-15(22-12)17-13(8-10-16(20)21)11-19(18-17)14-5-3-2-4-6-14/h2-11H,1H3,(H,20,21)/b10-8+
PubChem CID	876610
ChEMBL	CHEMBL1562523
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	7079.5 nM	PubChem BioAssay data set	ChEMBL

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