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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	CHEMBL301454
Molecular formula	C33H41N3O
IUPAC name	[4-[4-(N-benzylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
Molecular weight	495.711
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	6.8
Synonyms	(4-(4-(benzyl(phenyl)amino)piperidin-1-yl)-4-methylpiperidin-1-yl)(2,6-dimethylphenyl)methanone [1,4'-Bipiperidin]-4-amine, 1'-(2,6-dimethylbenzoyl)-4'-methyl-N-phenyl-N-(phenylmethyl)- BDBM50143740 [4-[4-(N-benzylanilino)-1-piperidyl]-4-methyl-1-piperidyl]-(2,6-dimethylphenyl)methanone JBRPUKJNMGIQRP-UHFFFAOYSA-N [4-(Benzyl-phenyl-amino)-4''-methyl-[1,4'']bipiperidinyl-1''-yl]-(2,6-dimethyl-phenyl)-methanone [4-[4-(N-benzylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone SCHEMBL3841540 AC1MHP9D [4-(Benzyl-phenyl-amino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)methanone [ Show all ]
Inchi Key	JBRPUKJNMGIQRP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H41N3O/c1-26-11-10-12-27(2)31(26)32(37)34-23-19-33(3,20-24-34)35-21-17-30(18-22-35)36(29-15-8-5-9-16-29)25-28-13-6-4-7-14-28/h4-16,30H,17-25H2,1-3H3
PubChem CID	3008913
ChEMBL	CHEMBL301454
IUPHAR	N/A
BindingDB	50143740
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
146983	C-C chemokine receptor type 5	P61814	CCR5	Macaca fascicularis (Crab-eating macaque)	352
146984	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352

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