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GLASS

You can:

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	CHEMBL108845
Molecular formula	C29H38N2O2
IUPAC name	1-[4-[[1-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]piperidin-4-yl]methyl]phenyl]ethanone
Molecular weight	446.635
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.3
Synonyms	1,4'-Bipiperidine, 4-[(4-acetylphenyl)methyl]-1'-(2,6-dimethylbenzoyl)-4'-methyl- 1-{4-[1''-(2,6-Dimethyl-benzoyl)-4''-methyl-[1,4'']bipiperidinyl-4-ylmethyl]-phenyl}-ethanone BDBM50115514 1-[4-[[1-[1-(2,6-dimethylbenzoyl)-4-methyl-4-piperidyl]-4-piperidyl]methyl]phenyl]ethanone 1-[4-[[1-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]piperidin-4-yl]methyl]phenyl]ethanone AC1LACIY [ Show all ]
Inchi Key	PGHGXGPMAYCWGK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H38N2O2/c1-21-6-5-7-22(2)27(21)28(33)30-18-14-29(4,15-19-30)31-16-12-25(13-17-31)20-24-8-10-26(11-9-24)23(3)32/h5-11,25H,12-20H2,1-4H3
PubChem CID	511308
ChEMBL	CHEMBL108845
IUPHAR	N/A
BindingDB	50115514
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	596.0 nM	PMID12086500	BindingDB,ChEMBL

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