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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	CGP-7930
Molecular formula	C19H32O2
IUPAC name	2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol
Molecular weight	292.463
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	5.7
Synonyms	NCGC00260854-01 XLWJPQQFJNGUPA-UHFFFAOYSA-N 3-(3',5'-Di-tert-butyl-4'-hydroxy)phenyl-2,2-dimethylpropanol BN0128 CHEBI:93152 HMS3268A09 NCGC00015210-01 NCGC00015210-04 SR-01000075738 2,6-di-tert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol ABP001026 CCG-204264 DTXSID90407620 Lopac0_000169 NCGC00025198-02 Tocris-1513 3,5-bis(1,1-Dimethylethyl)-4-hydroxy-?,?-dimethyl-benzenepropanol API0007845 CGP-7930, >98% (HPLC), solid HMS2230F05 MLS002153413 NCGC00015210-02 SCHEMBL2371710 ZINC2526560 3-(3,5-di-t-butyl-4-hydroxyphenyl)-2,2-dimethylpropanol BRD-K65786282-001-02-6 HMS3370F06 NCGC00015210-05 SR-01000075738-1 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol AC1NNCN1 CGP 7930 EU-0100169 LP00169 NCGC00025198-03 Tox21_500169 3-(3 inverted exclamation marka,5 inverted exclamation marka-Di-tert-butyl-4 inverted exclamation marka-hydroxy)phenyl-2,2-dimethylpropanol BDBM50108996 CGP7930 HMS3260B19 MolPort-003-940-608 NCGC00015210-03 SMR001230789 2,2-di-methyl-3-(3,5-di-t-butyl-4-hydroxyphenyl)propanol 57717-80-3 C 0862 CHEMBL1256697 Lopac-C-0862 NCGC00025198-01 SR-01000075738-3 28-99-9 AKOS024456641 GTPL1079 LS-193044 [ Show all ]
Inchi Key	XLWJPQQFJNGUPA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H32O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,20-21H,11-12H2,1-8H3
PubChem CID	5024764
ChEMBL	CHEMBL1256697
IUPHAR	1079
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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