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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	P2Y purinoceptor 2
Species	Homo sapiens (Human)
Gene	P2RY2
Synonym	Purinergic receptor purinergic receptor P2Y P2Y2 receptor P2Y2 P2Y purinoceptor 2 P2Y ATP receptor 2 P2U1 P2U receptor 1 P2U purinoceptor 1 ATP receptor [ Show all ]
Disease	Dry eye disease Constipation Cystic fibrosis Lung cancer
Length	377
Amino acid sequence	MAADLGPWNDTINGTWDGDELGYRCRFNEDFKYVLLPVSYGVVCVPGLCLNAVALYIFLCRLKTWNASTTYMFHLAVSDALYAASLPLLVYYYARGDHWPFSTVLCKLVRFLFYTNLYCSILFLTCISVHRCLGVLRPLRSLRWGRARYARRVAGAVWVLVLACQAPVLYFVTTSARGGRVTCHDTSAPELFSRFVAYSSVMLGLLFAVPFAVILVCYVLMARRLLKPAYGTSGGLPRAKRKSVRTIAVVLAVFALCFLPFHVTRTLYYSFRSLDLSCHTLNAINMAYKVTRPLASANSCLDPVLYFLAGQRLVRFARDAKPPTGPSPATPARRRLGLRRSDRTDMQRIEDVLGSSEDSRRTESTPAGSENTKDIRL
UniProt	P41231
Protein Data Bank	N/A
GPCR-HGmod model	P41231
3D structure model	This predicted structure model is from GPCR-EXP P41231.
BioLiP	N/A
Therapeutic Target Database	T93515
ChEMBL	CHEMBL4398
IUPHAR	324
DrugBank	BE0002401

Ligand

Name	BPTU
Molecular formula	C23H22F3N3O3
IUPAC name	1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
Molecular weight	445.442
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	6.1
Synonyms	AK689499 GTPL5808 1-(2-[2-(t-butyl)phenoxy]pyridin-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea BDBM50429537 CHEMBL2333770 N-[2-[2-(1,1-Dimethylethyl)phenoxy]-3-pyridinyl]-N'-[4-(trifluoromethoxy)phenyl]urea ZINC95588286 BMS-646786 DS-20243 AKOS032962872 BPTU; BMS-646786 HY-13831 SCHEMBL3154648 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea BMS compound 16 CS-8114 870544-59-5 BMS-646786, >=98% (HPLC) EX-A2593 1-(2-(2-(tert-butyl)phenoxy)pyridin-3-yl)-3-(4-(trifluoromethoxy)phenyl)urea BCP29138 MolPort-046-033-632 Urea, N-[2-[2-(1,1-diMethylethyl)phenoxy]-3-pyridinyl]-N'-[4-(trifluoroMethoxy)phenyl]- BMS compound 16 [PMID:23368907] D07MTB [ Show all ]
Inchi Key	AHFLGPTXSIRAQK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
PubChem CID	11510579
ChEMBL	CHEMBL2333770
IUPHAR	5808
BindingDB	50429537
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
Ki	<15000.0 nM	PMID23368907	BindingDB,ChEMBL

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