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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	CHEMBL1683055
Molecular formula	C25H36F3N3O2
IUPAC name	[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
Molecular weight	467.577
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.2
Synonyms	AOPWQMZXHFQASV-QPPBQGQZSA-N ((1S,3R)-1-isopropyl-3-(tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone BDBM50337602 N-[(1R,3S)-3-isopropyl-3-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)cyclopentyl]tetrahydro-2H-pyran-4-amine SCHEMBL3327106
Inchi Key	AOPWQMZXHFQASV-QPPBQGQZSA-N
Inchi ID	InChI=1S/C25H36F3N3O2/c1-18(2)24(9-6-21(17-24)29-20-7-14-33-15-8-20)23(32)31-12-10-30(11-13-31)22-5-3-4-19(16-22)25(26,27)28/h3-5,16,18,20-21,29H,6-15,17H2,1-2H3/t21-,24+/m1/s1
PubChem CID	11669935
ChEMBL	CHEMBL1683055
IUPHAR	N/A
BindingDB	50337602
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
10502	C-C chemokine receptor type 2	P41597	CCR2	Homo sapiens (Human)	374
10503	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352

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