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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	MLS000390145
Molecular formula	C22H15ClN2O
IUPAC name	(E)-2-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one
Molecular weight	358.825
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	5.6
Synonyms	(E)-2-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one HMS2549K04 AKOS008003677 ZINC4864419 (E)-2-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)-1-phenyl-2-propen-1-one CHEMBL1550862 BDBM54254 (E)-2-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)-1-phenyl-prop-2-en-1-one cid_6122140 AC1O1IPK SMR000259409 [ Show all ]
Inchi Key	DFXBECUFRBOWLA-JXAWBTAJSA-N
Inchi ID	InChI=1S/C22H15ClN2O/c23-17-10-6-7-15(13-17)14-18(21(26)16-8-2-1-3-9-16)22-24-19-11-4-5-12-20(19)25-22/h1-14H,(H,24,25)/b18-14-
PubChem CID	6122140
ChEMBL	CHEMBL1550862
IUPHAR	N/A
BindingDB	54254
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	3548.1 nM	PubChem BioAssay data set	ChEMBL

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