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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	CHEMBL345711
Molecular formula	C28H29F3N2
IUPAC name	(2R,3R)-2-benzhydryl-N-[[2-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
Molecular weight	450.549
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	6.3
Synonyms	1-Azabicyclo(2.2.2)octan-3-amine, 2-(diphenylmethyl)-N-((2-(trifluoromethyl)phenyl)methyl)-, cis-(+-)- [(2R,3R)-2-(2,2-Diphenyl-ethyl)-1-aza-bicyclo[2.2.2]oct-3-yl]-(2-trifluoromethyl-benzyl)-amine AC1L2ZYE 3-Tbbq BDBM50280464 (2R,3R)-2-benzhydryl-N-[[2-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine ZINC36324059 [ Show all ]
Inchi Key	SJOKZBTYGQAZNH-KAYWLYCHSA-N
Inchi ID	InChI=1S/C28H29F3N2/c29-28(30,31)24-14-8-7-13-23(24)19-32-26-22-15-17-33(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,32H,15-19H2/t26-,27-/m1/s1
PubChem CID	131871
ChEMBL	CHEMBL345711
IUPHAR	N/A
BindingDB	50280464
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
315996	Neuromedin-K receptor	P16177	Tacr3	Rattus norvegicus (Rat)	452
315995	Substance-K receptor	P51144	TACR2	Mesocricetus auratus (Golden hamster)	384
315994	Substance-P receptor	P14600	Tacr1	Rattus norvegicus (Rat)	407
315997	Substance-P receptor	P30547	TACR1	Cavia porcellus (Guinea pig)	407

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