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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	CHEMBL59511
Molecular formula	C33H39N5O2
IUPAC name	3-[(N-[1-[1-(2,4-dimethyl-1-oxidopyridin-1-ium-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]anilino)methyl]benzonitrile
Molecular weight	537.708
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.4
Synonyms	3-[(N-[1-[1-(2,4-dimethyl-1-oxido-pyridin-1-ium-3-carbonyl)-4-methyl-4-piperidyl]-4-piperidyl]anilino)methyl]benzonitrile AC1MHP8L 3-[(N-[1-[1-(2,4-dimethyl-1-oxidopyridin-1-ium-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]anilino)methyl]benzonitrile BDBM50143734 3-({[1''-(2,4-Dimethyl-1-oxy-pyridine-3-carbonyl)-4''-methyl-[1,4'']bipiperidinyl-4-yl]-phenyl-amino}-methyl)-benzonitrile Benzonitrile, 3-[[[1'-[(2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl]-4'-methyl[1,4'-bipiperidin]-4-yl]phenylamino]methyl]- [ Show all ]
Inchi Key	UALHUWYCEAVLAG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H39N5O2/c1-25-12-19-38(40)26(2)31(25)32(39)35-20-15-33(3,16-21-35)36-17-13-30(14-18-36)37(29-10-5-4-6-11-29)24-28-9-7-8-27(22-28)23-34/h4-12,19,22,30H,13-18,20-21,24H2,1-3H3
PubChem CID	3008904
ChEMBL	CHEMBL59511
IUPHAR	N/A
BindingDB	50143734
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2.8 nM	PMID18267361	BindingDB,ChEMBL

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