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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	C-C chemokine receptor type 5
Species	Homo sapiens (Human)
Gene	CCR5
Synonym	CD195 chemokine (C-C motif) receptor 5 (gene/pseudogene) CHEMR13 CCR5 CCR-5 CC-CKR-5 CC CKR5 HIV-1 fusion coreceptor C-C CKR-5 MIP-1 alpha receptor CKR5 [ Show all ]
Disease	Human immunodeficiency virus infection
Length	352
Amino acid sequence	MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
UniProt	P51681
Protein Data Bank	4mbs, 6aky, 6akx, 5uiw
GPCR-HGmod model	P51681
3D structure model	This structure is from PDB ID 4mbs.
BioLiP	BL0430746, BL0430745, BL0430742,BL0430744, BL0430741,BL0430743, BL0382816, BL0256313,BL0256315, BL0256312,BL0256314
Therapeutic Target Database	T72171
ChEMBL	CHEMBL274
IUPHAR	62
DrugBank	BE0000911

Ligand

Name	CHEMBL106369
Molecular formula	C28H38N2O2
IUPAC name	(2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone
Molecular weight	434.624
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.6
Synonyms	1,4'-bipiperidine, 1'-(2,6-dimethylbenzoyl)-4-[(4-methoxyphenyl)methyl]-4'-methyl- BDBM50115523 (2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone (2,6-Dimethyl-phenyl)-[4-(4-methoxy-benzyl)-4''-methyl-[1,4'']bipiperidinyl-1''-yl]-methanone 1''-(2,6-Dimethylbenzoyl)-4''-methyl-4-[(4-methoxyphenyl)methyl]-1,4''-bipiperidine AC1LACIS (2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]-1-piperidyl]-4-methyl-1-piperidyl]methanone [ Show all ]
Inchi Key	LKDCAIVJHAMVHC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H38N2O2/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	511306
ChEMBL	CHEMBL106369
IUPHAR	N/A
BindingDB	50115523
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	155.0 nM	PMID14521412	BindingDB,ChEMBL

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