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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	SR-01000698447
Molecular formula	C23H24ClN3O3
IUPAC name	[1-(4-ethylanilino)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
Molecular weight	425.913
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.1
Synonyms	SMR000249675 BDBM79461 SR-01000698447-3 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester cid_3324089 MLS000334917 [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate AC1MOPLP 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Z25456736 HMS2608C06 MolPort-005-863-021 AKOS033941815 SR-01000698447-2 1-[(4-ethylphenyl)carbamoyl]ethyl 1-benzyl-5-chloro-3-methyl-1H-pyrazole-4-carboxylate CHEMBL1384963 [1-(4-ethylanilino)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate 956754-02-2 MCULE-4542484047 [ Show all ]
Inchi Key	CMESBGDQHPKECY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H24ClN3O3/c1-4-17-10-12-19(13-11-17)25-22(28)16(3)30-23(29)20-15(2)26-27(21(20)24)14-18-8-6-5-7-9-18/h5-13,16H,4,14H2,1-3H3,(H,25,28)
PubChem CID	3324089
ChEMBL	CHEMBL1384963
IUPHAR	N/A
BindingDB	79461
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	44668.4 nM	PubChem BioAssay data set	ChEMBL

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