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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	MLS000106678
Molecular formula	C11H12N2OS
IUPAC name	4-methoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Molecular weight	220.29
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.1
Synonyms	ZINC116423 40277-31-4 CHEMBL1423515 SR-01000392419 4-methoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine AKOS000281631 HMS2449E06 Maybridge1_003811 STK394315 4-methoxy-5,6,7,8-tetrahydrobenzo[b]thiopheno[2,3-d]pyrimidine CCG-240383 MolPort-000-703-649 3-methoxy-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene cid_717679 HMS3437C05 SR-01000392419-1 4-methoxy-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine BAS 06105288 MCULE-4901961585 Z31131451 4-methoxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine SMR000111055 4-Methoxy-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine AC1LETCG F0239-0404 HMS552F05 ST50023196 4-methoxy-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine BDBM49117 [ Show all ]
Inchi Key	APMNRWQWJSNFBB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H12N2OS/c1-14-10-9-7-4-2-3-5-8(7)15-11(9)13-6-12-10/h6H,2-5H2,1H3
PubChem CID	717679
ChEMBL	CHEMBL1423515
IUPHAR	N/A
BindingDB	49117
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	14125.4 nM	PubChem BioAssay data set	ChEMBL

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