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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	N-Methyldopamine hydrochloride
Molecular formula	C9H14ClNO2
IUPAC name	4-[2-(methylamino)ethyl]benzene-1,2-diol;hydrochloride
Molecular weight	203.666
Hydrogen bond acceptor	3
Hydrogen bond donor	4
XlogP	None
Synonyms	Methyl[b-(3,4-dihydroxyphenyl) ethyl] amine N-Methyl Dopamine Hydrochlorie NSC294897 SR-01000075369 3,4-Dihydroxyphenethylmethylammonium chloride 4-[2-(Methylamino)ethyl]benzene-1,2-diol hydrochlorid AC1Q3F7D CTK8C5228 EINECS 200-528-3 KB-58534 MLS001332603 Pyrocatechol, 4-(2-(methylamino)ethyl)-, hydrochloride Tox21_500390 3,4-Dihydroxyphenylethylmethylamine hydrochloride 4-[2-(methylamino)ethyl]benzene-1,2-diol,hydrochloride AX8145089 Deoxy Epinephrine Epinine hydrochloride LS-136446 Methyldopamine HCl MTB0000346 NSC 294897 SCHEMBL1320882 1,2-Benzenediol, 4-(2-(methylamino)ethyl)-, hydrochloride (9CI) ZV3MG8PAX3 4-[2-(Methylamino)ethyl]-1,2-benzenediol AC-20364 Deoxyepinephrine hydrochloride crystalline FT-0650241 MFCD00035074 N-Methyl-3,4-hydroxyphenethylamine hydrochloride OR1575 SR-01000075369-1 3,4-Dihydroxyphenyl-1-methylamino-2-ethane hydrochloride 4-[2-(methylamino)ethyl]benzene-1,2-diol hydrochloride AKOS015965249 D 5886 Ephinine hydrochloride KM0599 MLS001332604 NCGC00093818-01 Pyrocatechol, 4-[2-(methylamino)ethyl]-, hydrochloride 1, 4-[2-(methylamino)ethyl]-, hydrochloride UNII-ZV3MG8PAX3 4-(2-(Methylamino)ethyl)benzene-1,2-diol hydrochloride 4-[2-(Methylamino)ethyl]pyrocatechol C-45961 deoxyepinephrine Epinine hydrochloride; Deoxyepinephrine hydrochloride Methyl-(beta-(3,4-dihydroxyphenyl)ethyl)amine hydrochloride Methyldopamine hydrochloride N-methyl dopamine hydrochloride NSC-294897 SMR000326768 1,2-Benzenediol, 4-[2-(methylamino)ethyl]-hydrochloride ZX-AT001333 4-[2-(methylamino)ethyl]-1,2-benzenediol hydrochloride AC1L3BMB CHEMBL1256484 DTXSID90211027 JCDRZCWRRLKLTB-UHFFFAOYSA-N MLS000859907 N-Methyldopamine HCl PS-8162 TC-163598 3,4-Dihydroxyphenylethylmethyamine hydrochloride 4-[2-(methylamino)ethyl]benzene-1,2-diol, chloride ANW-74853 DB-001742 EPININE HCl LP00390 Methyl-[.beta.-(3,4-dihydroxyphenyl)ethyl]amine hydrochloride MolPort-001-757-325 NCGC00261075-01 SBB093199 1,2-Benzenediol, 4-(2-(methylamino)ethyl)-, hydrochloride WLN: QR BQ D2M1 &GH 4-(2-Methylaminoethyl)pyrocatechol hydrochloride 62-32-8 CCG-221694 Deoxyepinephrine hydrochloride EU-0100390 [ Show all ]
Inchi Key	JCDRZCWRRLKLTB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H13NO2.ClH/c1-10-5-4-7-2-3-8(11)9(12)6-7;/h2-3,6,10-12H,4-5H2,1H3;1H
PubChem CID	86470
ChEMBL	CHEMBL1256484
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Potency	25118.9 nM	PubChem BioAssay data set	ChEMBL

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