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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	Mus musculus (Mouse)
Gene	Ccr5
Synonym	CKR5 CHEMR13 chemokine (C-C motif) receptor 5 (gene/pseudogene) CD195 CCR5 CCR-5 CC-CKR-5 CC CKR5 C-C CKR-5 MIP-1 alpha receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	354
Amino acid sequence	MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL
UniProt	P51682
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	CHEMBL3676
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL110463
Molecular formula	C28H38N2OS
IUPAC name	(2,6-dimethylphenyl)-[4-methyl-4-[4-[(4-methylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone
Molecular weight	450.685
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	6.1
Synonyms	(2,6-dimethylphenyl)-[4-methyl-4-[4-[(4-methylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone AC1LACI4 (2,6-Dimethyl-phenyl)-[4''-methyl-4-(4-methylsulfanyl-benzyl)-[1,4'']bipiperidinyl-1''-yl]-methanone 1,4'-Bipiperidine, 1'-(2,6-dimethylbenzoyl)-4'-methyl-4-[[4-(methylthio)phenyl]methyl]- BDBM50115544 (2,6-dimethylphenyl)-[4-methyl-4-[4-[(4-methylsulfanylphenyl)methyl]-1-piperidyl]-1-piperidyl]methanone [ Show all ]
Inchi Key	OQLJNIIPOOCAGL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H38N2OS/c1-21-6-5-7-22(2)26(21)27(31)29-18-14-28(3,15-19-29)30-16-12-24(13-17-30)20-23-8-10-25(32-4)11-9-23/h5-11,24H,12-20H2,1-4H3
PubChem CID	511296
ChEMBL	CHEMBL110463
IUPHAR	N/A
BindingDB	50115544
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
Ki	86.0 nM	PMID12086500	BindingDB,ChEMBL

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