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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.
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GPCR

Name	C-C chemokine receptor type 5
Species	Macaca fascicularis (Crab-eating macaque)
Gene	CCR5
Synonym	C-C CKR-5 CC-CKR-5 CCR-5 CCR5
Disease	N/A for non-human GPCRs
Length	352
Amino acid sequence	MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
UniProt	P61814
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	CHEMBL1075263
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL556314
Molecular formula	C31H38N4O2
IUPAC name	(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone
Molecular weight	498.671
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.8
Synonyms	(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone AC1MHPAN (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-diphenylamino-4''-methyl-[1,4'']bipiperidinyl-1''-yl)-methanone BDBM50143750 [1,4'-Bipiperidin]-4-amine, 1'-[(2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl]-4'-methyl-N,N-diphenyl- (2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)-[4-methyl-4-[4-(N-phenylanilino)-1-piperidyl]-1-piperidyl]methanone [ Show all ]
Inchi Key	KFDHCUNXEPNTLZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H38N4O2/c1-24-14-21-34(37)25(2)29(24)30(36)32-22-17-31(3,18-23-32)33-19-15-28(16-20-33)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,21,28H,15-20,22-23H2,1-3H3
PubChem CID	3008929
ChEMBL	CHEMBL556314
IUPHAR	N/A
BindingDB	50143750
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3.4 nM	PMID18267361	BindingDB,ChEMBL

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