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GLASS

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

Name	P2Y purinoceptor 6
Species	Rattus norvegicus (Rat)
Gene	P2ry6
Synonym	P2Y ATP receptor 6 P2Y purinoceptor 6 P2Y6 P2Y6 receptor pyrimidinergic receptor P2Y uridine nucleotide receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	328
Amino acid sequence	MERDNGTIQAPGLPPTTCVYREDFKRLLLPPVYSVVLVVGLPLNVCVIAQICASRRTLTRSAVYTLNLALADLLYACSLPLLIYNYARGDHWPFGDLACRLVRFLFYANLHGSILFLTCISFQRYLGICHPLAPWHKRGGRRAAWVVCGVVWLVVTAQCLPTAVFAATGIQRNRTVCYDLSPPILSTRYLPYGMALTVIGFLLPFTALLACYCRMARRLCRQDGPAGPVAQERRSKAARMAVVVAAVFVISFLPFHITKTAYLAVRSTPGVSCPVLETFAAAYKGTRPFASANSVLDPILFYFTQQKFRRQPHDLLQKLTAKWQRQRV
UniProt	Q63371
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3543
IUPHAR	326
DrugBank	N/A

Ligand

Name	MRS 2578
Molecular formula	C20H20N6S4
IUPAC name	1-(3-isothiocyanatophenyl)-3-[4-[(3-isothiocyanatophenyl)carbamothioylamino]butyl]thiourea
Molecular weight	472.662
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	6.3
Synonyms	BC638803 DTXSID90582027 MFCD07370141 N,N'-Butane-1,4-diylbis[N'-(3-isothiocyanatophenyl)(thiourea)] W-5347 711019-86-2 C20H20N6S4 HMS3651B19 MRS 2578, >=95% (HPLC) RT-013956 1,4-Di[3-(3-isothiocyanatophenyl)thioureido]butane AKOS024456955 CTK8F1362 KS-00000XKF MRS2578/MRS-2578 SCHEMBL17644288 3-(3-isothiocyanatophenyl)-1-[4-[(3-isothiocyanatophenyl)carbamothioylamino]butyl]thiourea BCP9000966 FT-0746841 MolPort-003-958-618 NCGC00092312-01 Y0242 AB0008028 CHEMBL1321988 HY-13104 MRS-2578 s2855 1-(3-isothiocyanatophenyl)-3-[4-[(3-isothiocyanatophenyl)carbamothioylamino]butyl]thiourea AS-19548 D03YRN L024006 N,N''-1,4-Butanediylbis[N'-(3-isothiocyanatophenyl)thiourea SW219214-1 4CA-0877 BCPP000156 GTPL1753 NCGC00092312-02 ZINC8022491 1,1'-(butane-1,4-diyl)bis(3-(3-isothiocyanatophenyl)thiourea) ABP000139 CS-0416 KB-55106 MRS2578 SC-95148 [ Show all ]
Inchi Key	QOHNRGHTJPFMSL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20N6S4/c27-13-23-15-5-3-7-17(11-15)25-19(29)21-9-1-2-10-22-20(30)26-18-8-4-6-16(12-18)24-14-28/h3-8,11-12H,1-2,9-10H2,(H2,21,25,29)(H2,22,26,30)
PubChem CID	16078986
ChEMBL	N/A
IUPHAR	1753
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
IC50	100.0 nM	PMID15081875	IUPHAR

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