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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	CID 136036526
Molecular formula	C21H24FN5O3S
IUPAC name	3-[[4-[(1R)-1-(3-fluorophenyl)-2-methylpropyl]imino-1-oxido-1,2,5-thiadiazol-1-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight	445.513
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	4.0
Synonyms	N/A
Inchi Key	FXZPQNIHNJKMLA-WYXXSATOSA-N
Inchi ID	InChI=1S/C21H24FN5O3S/c1-12(2)17(13-7-5-8-14(22)11-13)24-20-19(25-31(30)26-20)23-16-10-6-9-15(18(16)28)21(29)27(3)4/h5-12,17,28H,1-4H3,(H,23,25)(H,24,26)/t17-,31?/m1/s1
PubChem CID	136036526
ChEMBL	CHEMBL402144
IUPHAR	N/A
BindingDB	50227010
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	8.0 nM	PMID18006311	BindingDB,ChEMBL

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