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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	BU-E-76
Molecular formula	C21H24F2N6
IUPAC name	1-[3-(3,5-difluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
Molecular weight	398.462
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	2.5
Synonyms	BDBM50403482 L004002 114667-79-7 ACMC-20mkpo Guanidine, N-(3-(3,5-difluorophenyl)-3-(2-pyridinyl)propyl)-N'-(3-(1H-imidazol-4-yl)propyl)- BU-E 76 N(1)-(3-(3,5-Difluorophenyl)-3-pyridine-2-ylpropyl)-N(2)-(3-(1H-imidazol-4-yl)propyl)guanidine CHEMBL59832 AKOS030602612 Guanidine,N-[3-(3,5-difluorophenyl)-3-(2-pyridinyl)propyl]-N'-[3-(1H-imidazol-5-yl)propyl]- 1-[3-(3,5-difluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine SCHEMBL7284806 AC1MIW8R CTK4A8842 [ Show all ]
Inchi Key	AWNVXDSGXRUHRY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24F2N6/c22-16-10-15(11-17(23)12-16)19(20-5-1-2-7-26-20)6-9-28-21(24)27-8-3-4-18-13-25-14-29-18/h1-2,5,7,10-14,19H,3-4,6,8-9H2,(H,25,29)(H3,24,27,28)
PubChem CID	3081064
ChEMBL	CHEMBL59832
IUPHAR	N/A
BindingDB	50403482
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
16201	Histamine H1 receptor	P31389	HRH1	Cavia porcellus (Guinea pig)	488
16200	Histamine H2 receptor	P47747	HRH2	Cavia porcellus (Guinea pig)	359
16202	Neuropeptide Y receptor type 1	P25929	NPY1R	Homo sapiens (Human)	384

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