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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	C-C chemokine receptor type 5
Species	Macaca fascicularis (Crab-eating macaque)
Gene	CCR5
Synonym	C-C CKR-5 CC-CKR-5 CCR-5 CCR5
Disease	N/A for non-human GPCRs
Length	352
Amino acid sequence	MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
UniProt	P61814
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075263
IUPHAR	N/A
DrugBank	N/A

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	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 (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)- [ 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.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3.0 nM	PMID18267361	BindingDB,ChEMBL

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