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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	SMR000207614
Molecular formula	C14H14N2O2
IUPAC name	(E)-3-(1,3-dimethylpyrazol-4-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Molecular weight	242.278
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.0
Synonyms	AC1NYT2T MolPort-001-649-655 SR-01000150408 (E)-3-(1,3-dimethyl-4-pyrazolyl)-1-(4-hydroxyphenyl)-2-propen-1-one HMS2570P16 ZINC4349828 AKOS001677066 REGID_for_CID_5865241 CHEMBL1520538 SR-01000150408-1 (E)-3-(1,3-dimethylpyrazol-4-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one MLS000585833 BDBM67594 (2E)-3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one cid_5865241 STK046180 [ Show all ]
Inchi Key	ABAWOOLKLLGUCV-VMPITWQZSA-N
Inchi ID	InChI=1S/C14H14N2O2/c1-10-12(9-16(2)15-10)5-8-14(18)11-3-6-13(17)7-4-11/h3-9,17H,1-2H3/b8-5+
PubChem CID	5865241
ChEMBL	CHEMBL1520538
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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