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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 8
Species	Homo sapiens (Human)
Gene	CCR8
Synonym	GPRCY6 GPR-CY6 CMKBRL2 CKR-L1 ChemR1 Chemokine receptor-like 1 CCR8 CCR-8 CC-CKR-8 CC chemokine receptor CHEMR1 C-C CKR-8 TER1 [ Show all ]
Disease	Psoriasis
Length	355
Amino acid sequence	MDYTLDLSVTTVTDYYYPDIFSSPCDAELIQTNGKLLLAVFYCLLFVFSLLGNSLVILVLVVCKKLRSITDVYLLNLALSDLLFVFSFPFQTYYLLDQWVFGTVMCKVVSGFYYIGFYSSMFFITLMSVDRYLAVVHAVYALKVRTIRMGTTLCLAVWLTAIMATIPLLVFYQVASEDGVLQCYSFYNQQTLKWKIFTNFKMNILGLLIPFTIFMFCYIKILHQLKRCQNHNKTKAIRLVLIVVIASLLFWVPFNVVLFLTSLHSMHILDGCSISQQLTYATHVTEIISFTHCCVNPVIYAFVGEKFKKHLSEIFQKSCSQIFNYLGRQMPRESCEKSSSCQQHSSRSSSVDYIL
UniProt	P51685
Protein Data Bank	N/A
GPCR-HGmod model	P51685
3D structure model	This predicted structure model is from GPCR-EXP P51685.
BioLiP	N/A
Therapeutic Target Database	T20575
ChEMBL	CHEMBL4596
IUPHAR	65
DrugBank	N/A

Ligand

Name	4,4'-Dimethoxy-2,2'-bipyridine
Molecular formula	C12H12N2O2
IUPAC name	4-methoxy-2-(4-methoxypyridin-2-yl)pyridine
Molecular weight	216.24
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	1.4
Synonyms	KB-35464 VP14604 AKOS015851874 D3886 DTXSID50370043 SC-65740 4-4 inverted exclamation marka-Dimethoxy-2-2 inverted exclamation marka-bipyridine AC1MBZZB BDBM50401349 I02-6155 ST50405823 17217-57-1 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine AJ-22177 CS-W004762 KS-000002EK ZB013321 4,4'-Dimethoxy-2,2'-bipyridyl A811383 ANW-22557 D40033 EOS221 SCHEMBL182529 4-4'-Dimethoxy-2-2'-bipyridine, 97% ACM17217571 IMEVSAIFJKKDAP-UHFFFAOYSA-N TR-035907 2,2'-Bipyridine, 4,4'-dimethoxy- 4-methoxy-2-(4-methoxypyridin-2-yl)pyridine AK-63314 CTK0I3310 DS-15216 MolPort-000-003-159 ZINC403962 4,4'-Dimethoxy-[2,2']bipyridinyl AC-20760 AX8018852 FT-0647788 ST24042505 4-methoxy-2-(4-methoxy(2-pyridyl))pyridine ACMC-1C6X1 CHEMBL2205808 [ Show all ]
Inchi Key	IMEVSAIFJKKDAP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H12N2O2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h3-8H,1-2H3
PubChem CID	2733927
ChEMBL	CHEMBL2205808
IUPHAR	N/A
BindingDB	50401349
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	5011.87 nM	PMID22957890	BindingDB,ChEMBL
EC50	5400.0 nM	PMID22957890	BindingDB,ChEMBL
FC	3.0 -	PMID22957890	ChEMBL
Ratio EC50	7.7 -	PMID22957890	ChEMBL

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