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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	MLS000544342
Molecular formula	C29H31N3O5
IUPAC name	[4-[(Z)-[[4-(2,2-dimethylpropanoylamino)benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 3-methylbenzoate
Molecular weight	501.583
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.5
Synonyms	3-methylbenzoic acid [4-[(Z)-[[[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazinylidene]methyl]-2-ethoxyphenyl] ester [4-[(Z)-[[4-(2,2-dimethylpropanoylamino)phenyl]carbonylhydrazinylidene]methyl]-2-ethoxy-phenyl] 3-methylbenzoate AH-487/37011052 CHEMBL1993807 SMR000163785 4-(2-{4-[(2,2-dimethylpropanoyl)amino]benzoyl}carbohydrazonoyl)-2-ethoxyphenyl 3-methylbenzoate BDBM95954 cid_5569476 3-methylbenzoic acid [2-ethoxy-4-[(Z)-[[4-(pivaloylamino)benzoyl]hydrazono]methyl]phenyl] ester [4-[(Z)-[[4-(2,2-dimethylpropanoylamino)benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 3-methylbenzoate AC1NVLWP [ Show all ]
Inchi Key	AEZPWELMVVEUDC-YKQZZPSBSA-N
Inchi ID	InChI=1S/C29H31N3O5/c1-6-36-25-17-20(10-15-24(25)37-27(34)22-9-7-8-19(2)16-22)18-30-32-26(33)21-11-13-23(14-12-21)31-28(35)29(3,4)5/h7-18H,6H2,1-5H3,(H,31,35)(H,32,33)/b30-18-
PubChem CID	5569476
ChEMBL	CHEMBL1993807
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	6309.6 nM	PubChem BioAssay data set	ChEMBL

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