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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	AC1NMN1L
Molecular formula	C27H24FN3O3S
IUPAC name	4-amino-5-(4-fluorobenzoyl)-2-(3-methoxyanilino)-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide
Molecular weight	489.565
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	6.8
Synonyms	EU-0027515 4-amino-5-(4-fluorobenzoyl)-2-[(3-methoxyphenyl)amino]-N-(4-methylbenzyl)thiophene-3-carboxamide MCULE-3887725471 ZINC2962345 HMS1909L07 MolPort-007-907-537 CHEMBL1409580 4-amino-5-(4-fluorobenzoyl)-2-(3-methoxyanilino)-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide K264-0078 AKOS002073966 NCGC00138322-01 [ Show all ]
Inchi Key	ACQDVLCFSRQPQD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H24FN3O3S/c1-16-6-8-17(9-7-16)15-30-26(33)22-23(29)25(24(32)18-10-12-19(28)13-11-18)35-27(22)31-20-4-3-5-21(14-20)34-2/h3-14,31H,15,29H2,1-2H3,(H,30,33)
PubChem CID	5012681
ChEMBL	CHEMBL1409580
IUPHAR	N/A
BindingDB	N/A
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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