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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	CHEMBL106533
Molecular formula	C29H37F3N4O3
IUPAC name	(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-[4-[(Z)-N-ethoxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone
Molecular weight	546.635
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	4.5
Synonyms	BDBM50115549 Pyridine, 3-[[4-[(Z)-(ethoxyimino)[4-(trifluoromethyl)phenyl]methyl]-4'-methyl[1,4'-bipiperidin]-1'-yl]carbonyl]-2,4-dimethyl-, 1-oxide (2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)-[4-[4-[(Z)-N-ethoxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]methanone (2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-(4-trifluoromethyl-phenyl)-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-methanone
Inchi Key	XTHDDZXLYYZMNX-MHTZHOPKSA-N
Inchi ID	InChI=1S/C29H37F3N4O3/c1-5-39-33-26(22-6-8-24(9-7-22)29(30,31)32)23-11-15-35(16-12-23)28(4)13-18-34(19-14-28)27(37)25-20(2)10-17-36(38)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3/b33-26+
PubChem CID	9579330
ChEMBL	CHEMBL106533
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3.8 nM	PMID12086500	ChEMBL

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