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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	CHEMBL110786
Molecular formula	C28H38N2O
IUPAC name	(2,6-dimethylphenyl)-[4-methyl-4-[4-[(4-methylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone
Molecular weight	418.625
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	6.0
Synonyms	(2,6-dimethylphenyl)-[4-methyl-4-[4-[(4-methylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone AC1LACI1 (2,6-Dimethyl-phenyl)-[4''-methyl-4-(4-methyl-benzyl)-[1,4'']bipiperidinyl-1''-yl]-methanone 1,4'-Bipiperidine, 1'-(2,6-dimethylbenzoyl)-4'-methyl-4-[(4-methylphenyl)methyl]- BDBM50115513 (2,6-dimethylphenyl)-[4-methyl-4-[4-(p-tolylmethyl)-1-piperidyl]-1-piperidyl]methanone [ Show all ]
Inchi Key	KXMNHKYDYLLZNM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H38N2O/c1-21-8-10-24(11-9-21)20-25-12-16-30(17-13-25)28(4)14-18-29(19-15-28)27(31)26-22(2)6-5-7-23(26)3/h5-11,25H,12-20H2,1-4H3
PubChem CID	511295
ChEMBL	CHEMBL110786
IUPHAR	N/A
BindingDB	50115513
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	113.0 nM	PMID12086500	BindingDB,ChEMBL

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