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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	MLS000730737
Molecular formula	C19H16FN5O3S2
IUPAC name	(6Z)-6-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-3-methylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Molecular weight	445.487
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.8
Synonyms	BDBM57883 SR-01000126107 (6Z)-6-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-3-mesyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one cid_16194228 AB00578514-05 MolPort-007-623-354 (6Z)-5-azanylidene-6-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-3-methylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one SR-01000126107-1 (6Z)-6-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-3-methylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one HMS2588K16 AKOS001803174 SMR000309112 (6Z)-6-[[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-imino-3-methylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one CHEMBL1482053 ZINC13574265 (6Z)-6-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-3-(methylsulfonyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one [ Show all ]
Inchi Key	AATSFXAHBUYHMF-IAYHVCARSA-N
Inchi ID	InChI=1S/C19H16FN5O3S2/c1-10-8-12(11(2)24(10)14-6-4-13(20)5-7-14)9-15-16(21)25-18(22-17(15)26)29-23-19(25)30(3,27)28/h4-9,21H,1-3H3/b15-9-,21-16?
PubChem CID	16194228
ChEMBL	CHEMBL1482053
IUPHAR	N/A
BindingDB	N/A
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	35481.3 nM	PubChem BioAssay data set	ChEMBL

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