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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-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	CHEMBL58619
Molecular formula	C19H15FN2O4S
IUPAC name	6-benzylsulfonyl-N-(4-fluorophenyl)-1-oxidopyridin-1-ium-3-carboxamide
Molecular weight	386.397
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.9
Synonyms	BDBM50102226 N-(4-Fluoro-phenyl)-1-oxy-6-phenylmethanesulfonyl-nicotinamide 2-(Benzylsulfonyl)-5-(4-fluorophenylaminocarbonyl)pyridine 1-oxide SCHEMBL3228272
Inchi Key	XUNMHDBDUOUNHX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15FN2O4S/c20-16-7-9-17(10-8-16)21-19(23)15-6-11-18(22(24)12-15)27(25,26)13-14-4-2-1-3-5-14/h1-12H,13H2,(H,21,23)
PubChem CID	10200147
ChEMBL	CHEMBL58619
IUPHAR	N/A
BindingDB	50102226
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	280.0 nM	PMID11459668	BindingDB,ChEMBL
Inhibition	77.0 %	PMID11459668	ChEMBL

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