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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

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	1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea BMS compound 16 CS-8114 SCHEMBL3154648 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 [ 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.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
5499	P2Y purinoceptor 1	P47900	P2RY1	Homo sapiens (Human)	373
5501	P2Y purinoceptor 11	Q96G91	P2RY11	Homo sapiens (Human)	374
5496	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342
5497	P2Y purinoceptor 14	Q15391	P2RY14	Homo sapiens (Human)	338
5500	P2Y purinoceptor 2	P41231	P2RY2	Homo sapiens (Human)	377
5498	P2Y purinoceptor 6	Q15077	P2RY6	Homo sapiens (Human)	328

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