Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

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	Pyronin Y
Molecular formula	C17H19ClN2O
IUPAC name	[6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium;chloride
Molecular weight	302.802
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	None
Synonyms	[6-(dimethylamino)xanthen-3-ylidene]dimethylamine, chloride 3,6-bis(dimethylamino)-10$l^{4}-xanthen-10-ylium chloride AC1Q1SCY C.I. 45005 HMS3020H13 Methanaminium, N-(6-(dimethylamino)-3H-xanthen-3-ylidene)-N-methyl-, chloride (9CI) NSC-10454 Pyronin Y, for microscopy (Bot., Fl., Hist.) Pyronine ZH tetramethyldiaminoxanthylium chloride 6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride AKOS015916487 KS-0000471K MLS001359873 Pyronin G Pyronin Y, pure, high purity biological stain Schultz No. 853 Xanthylium, 3,6-bis(dimethylamino)-, chloride [6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium chloride 167382-93-6 92-32-0 ARONIS24263 DTXSID8059051 MCULE-6105528808 N-[6-(dimethylamino)-3H-xanthen-3-ylidene]-N-methylmethanaminium chloride Pyronin Y (C.I. 45005) Pyronine G ST51006753 [7-(dimethylamino)dibenzo[b,e]oxin-3-yl]dimethylamine, chloride 3,6-bis(dimethylamino)-xanthylium chloride AI3-52862 C11179 HY-D0971 Methyl pyronin NSC10454 Pyronin Y, for NA electrophoresis SBB080721 UNII-W659G165T1 Xanthylium, 3,6-bis(dimethylamino)-, chloride (1:1) 6-(dimethylamino)-N,N-dimethylxanthen-3-iminium chloride AMMONIUM, (6-(DIMETHYLAMINO)-3H-XANTEN-3-YLIDENE)DIMETHYL-, CHLORIDE CHEMBL1486690 LS-17700 MolPort-001-795-077 Pyronin J Pyronin Yellow SMR001224393 [6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium chloride 20195-95-3 AC1L1NZ1 BBC/419 EINECS 202-147-8 Methanaminium, N-(6-(dimethylamino)-3H-xanthen-3-ylidene)-N-methyl-, chloride NSC 10454 Pyronin Y, certified by the Biological Stain Commission, Dye content 50 % Pyronine Y Tetramethyl pyronin 3,6-Bis(dimethylamino)xanthylium chloride AKOS005267240 CHEBI:8682 I14-50418 MFCD00011725 Pyronin Pyronin Y, pure, certified SCHEMBL1263862 W659G165T1 [6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium 115624-92-5 61260-70-6 AN-24231 CS-7516 M869 N-(6-(Dimethylamino-3H-Xanthen-3-Ylidene)-N-Methyl-Methanaminium Chloride Pyronine ST080679 [ Show all ]
Inchi Key	INCIMLINXXICKS-UHFFFAOYSA-M
Inchi ID	InChI=1S/C17H19N2O.ClH/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14;/h5-11H,1-4H3;1H/q+1;/p-1
PubChem CID	7085
ChEMBL	CHEMBL1486690
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	39810.7 nM	PubChem BioAssay data set	ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417