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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	CHEMBL294095
Molecular formula	C14H13FN2O4S
IUPAC name	6-ethylsulfonyl-N-(4-fluorophenyl)-1-oxidopyridin-1-ium-3-carboxamide
Molecular weight	324.326
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	0.7
Synonyms	6-Ethanesulfonyl-N-(4-fluoro-phenyl)-1-oxy-nicotinamide 2-(Ethylsulfonyl)-5-(4-fluorophenylaminocarbonyl)pyridine 1-oxide BDBM50102216 SCHEMBL3218773
Inchi Key	GYTDPDSEJRDDCB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H13FN2O4S/c1-2-22(20,21)13-8-3-10(9-17(13)19)14(18)16-12-6-4-11(15)5-7-12/h3-9H,2H2,1H3,(H,16,18)
PubChem CID	9967031
ChEMBL	CHEMBL294095
IUPHAR	N/A
BindingDB	50102216
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	130.0 nM	PMID11459668	BindingDB,ChEMBL
Inhibition	97.0 %	PMID11459668	ChEMBL

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