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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	CHEMBL523645
Molecular formula	C21H18F5N3O5
IUPAC name	3-[[3,4-dioxo-2-[[(1S)-2,2,3,3,3-pentafluoro-1-(5-methylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight	487.383
Hydrogen bond acceptor	12
Hydrogen bond donor	3
XlogP	4.0
Synonyms	SCHEMBL12262976 (S)-3-(3,4-dioxo-2-(2,2,3,3,3-pentafluoro-1-(5-methylfuran-2-yl)propylamino)cyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide BDBM50248456
Inchi Key	IACZVCYFISPAOZ-SFHVURJKSA-N
Inchi ID	InChI=1S/C21H18F5N3O5/c1-9-7-8-12(34-9)18(20(22,23)21(24,25)26)28-14-13(16(31)17(14)32)27-11-6-4-5-10(15(11)30)19(33)29(2)3/h4-8,18,27-28,30H,1-3H3/t18-/m0/s1
PubChem CID	44565052
ChEMBL	CHEMBL523645
IUPHAR	N/A
BindingDB	50248456
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor.

Experimental Data

Parameter	Value	Reference	Database source
Ki	4.0 nM	PMID19196511	BindingDB,ChEMBL

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