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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	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	CHEMBL61424
Molecular formula	C30H37N5O
IUPAC name	(4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone
Molecular weight	483.66
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	5.2
Synonyms	(4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[4-(N-phenylanilino)-1-piperidyl]-1-piperidyl]methanone [1,4'-Bipiperidin]-4-amine, 1'-[(4,6-dimethyl-5-pyrimidinyl)carbonyl]-4'-methyl-N,N-diphenyl- AC1MHPAK (4,6-Dimethyl-pyrimidin-5-yl)-(4-diphenylamino-4''-methyl-[1,4'']bipiperidinyl-1''-yl)-methanone (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone BDBM50143756 (4,6-dimethylpyrimidin-5-yl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone SCHEMBL12202560 [ Show all ]
Inchi Key	LXIQLCKAIYEIEH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H37N5O/c1-23-28(24(2)32-22-31-23)29(36)33-20-16-30(3,17-21-33)34-18-14-27(15-19-34)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3
PubChem CID	3008928
ChEMBL	CHEMBL61424
IUPHAR	N/A
BindingDB	50143756
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
IC50	2.2 nM	PMID18267361	BindingDB,ChEMBL

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