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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-X-C chemokine receptor type 2
Species	Homo sapiens (Human)
Gene	CXCR2
Synonym	chemokine (C-X-C motif) receptor 2 KC receptor CD128 IL8RB IL-8R2 IL-8R B IL-8 receptor type 2 High affinity interleukin-8 receptor B GRO/MGSA receptor Gpcr16 CD182 CDw128b CXCR2 CXCR-2 CXC-R2 [ Show all ]
Disease	Cystic fibrosis; Chronic obstructive pulmonary disease Asthma Cancer Ischemia-reperfusion injury; Lung transplantation; Graft rejection in heart transplantation Fungal infections Chronic obstructive pulmonary disease [ Show all ]
Length	360
Amino acid sequence	MEDFNMESDSFEDFWKGEDLSNYSYSSTLPPFLLDAAPCEPESLEINKYFVVIIYALVFLLSLLGNSLVMLVILYSRVGRSVTDVYLLNLALADLLFALTLPIWAASKVNGWIFGTFLCKVVSLLKEVNFYSGILLLACISVDRYLAIVHATRTLTQKRYLVKFICLSIWGLSLLLALPVLLFRRTVYSSNVSPACYEDMGNNTANWRMLLRILPQSFGFIVPLLIMLFCYGFTLRTLFKAHMGQKHRAMRVIFAVVLIFLLCWLPYNLVLLADTLMRTQVIQETCERRNHIDRALDATEILGILHSCLNPLIYAFIGQKFRHGLLKILAIHGLISKDSLPKDSRPSFVGSSSGHTSTTL
UniProt	P25025
Protein Data Bank	N/A
GPCR-HGmod model	P25025
3D structure model	This predicted structure model is from GPCR-EXP P25025.
BioLiP	N/A
Therapeutic Target Database	T56923
ChEMBL	CHEMBL2434
IUPHAR	69
DrugBank	N/A

Ligand

Name	CHEMBL3342279
Molecular formula	C18H19FN2O2S
IUPAC name	N-(4-fluorophenyl)-6-(oxan-4-ylmethylsulfanyl)pyridine-3-carboxamide
Molecular weight	346.42
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.2
Synonyms	BDBM150888 N-(4-Fluorophenyl)-6-(tetrahydro-2H-pyran-4-ylmethylthio)nicotinamide US8981106, 77
Inchi Key	BRBBPFBOWPYCAY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19FN2O2S/c19-15-2-4-16(5-3-15)21-18(22)14-1-6-17(20-11-14)24-12-13-7-9-23-10-8-13/h1-6,11,13H,7-10,12H2,(H,21,22)
PubChem CID	46896681
ChEMBL	CHEMBL3342279
IUPHAR	N/A
BindingDB	150888
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	<5000.0 nM	PMID25254640	BindingDB,ChEMBL
IC50	<10000.0 nM	, None	BindingDB,ChEMBL

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