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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	CHEMBL106209
Molecular formula	C27H33BrN2O2
IUPAC name	(4-bromophenyl)-[1-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]piperidin-4-yl]methanone
Molecular weight	497.477
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.4
Synonyms	(4-Bromo-phenyl)-[1''-(2,6-dimethyl-benzoyl)-4''-methyl-[1,4'']bipiperidinyl-4-yl]-methanone 4-(4-Bromobenzoyl)-4'-methyl-1'-(2,6-dimethylbenzoyl)-1,4'-bi(piperidine) BDBM50104939 (4-bromophenyl)-[1-[1-(2,6-dimethylbenzoyl)-4-methyl-4-piperidyl]-4-piperidyl]methanone Methanone, (4-bromophenyl)[1'-(2,6-dimethylbenzoyl)-4'-methyl[1,4'-bipiperidin]-4-yl]- (4-bromophenyl)-[1-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]piperidin-4-yl]methanone [4-(4-Bromo-benzoyl)-4''-methyl-[1,4'']bipiperidinyl-1''-yl]-(2,6-dimethyl-phenyl)-methanone AC1L9X07 [ Show all ]
Inchi Key	FMNMLKWJLFYSMF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H33BrN2O2/c1-19-5-4-6-20(2)24(19)26(32)29-17-13-27(3,14-18-29)30-15-11-22(12-16-30)25(31)21-7-9-23(28)10-8-21/h4-10,22H,11-18H2,1-3H3
PubChem CID	457671
ChEMBL	CHEMBL106209
IUPHAR	N/A
BindingDB	50104939
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	54.0 nM	PMID12086500	BindingDB,ChEMBL

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