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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 14
Species	Homo sapiens (Human)
Gene	P2RY14
Synonym	G-protein coupled receptor 105 GPR105 G protein-coupled receptor 105 P2Y purinoceptor 14 P2Y14 P2Y14 receptor purinergic receptor P2Y G protein coupled receptor for UDP-glucose UDP-glucose receptor [ Show all ]
Disease	N/A
Length	338
Amino acid sequence	MINSTSTQPPDESCSQNLLITQQIIPVLYCMVFIAGILLNGVSGWIFFYVPSSKSFIIYLKNIVIADFVMSLTFPFKILGDSGLGPWQLNVFVCRVSAVLFYVNMYVSIVFFGLISFDRYYKIVKPLWTSFIQSVSYSKLLSVIVWMLMLLLAVPNIILTNQSVREVTQIKCIELKSELGRKWHKASNYIFVAIFWIVFLLLIVFYTAITKKIFKSHLKSSRNSTSVKKKSSRNIFSIVFVFFVCFVPYHIARIPYTKSQTEAHYSCQSKEILRYMKEFTLLLSAANVCLDPIIYFFLCQPFREILCKKLHIPLKAQNDLDISRIKRGNTTLESTDTL
UniProt	Q15391
Protein Data Bank	N/A
GPCR-HGmod model	Q15391
3D structure model	This predicted structure model is from GPCR-EXP Q15391.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4518
IUPHAR	330
DrugBank	N/A

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	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 BMS compound 16 [PMID:23368907] D07MTB Urea, N-[2-[2-(1,1-diMethylethyl)phenoxy]-3-pyridinyl]-N'-[4-(trifluoroMethoxy)phenyl]- 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 BMS-646786 DS-20243 ZINC95588286 AKOS032962872 BPTU; BMS-646786 HY-13831 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea BMS compound 16 CS-8114 SCHEMBL3154648 [ 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	3500.0 nM	PMID23368907	BindingDB,ChEMBL

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