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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	SCHEMBL13207037
Molecular formula	C21H27N5O4S
IUPAC name	3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight	445.538
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	3.3
Synonyms	3-{4-[(R)-1-(4,5-dimethyl-furan-2-yl)-2-methyl-propylamino]-1-oxo-1H-1lambda4-[1,2,5]thiadiazol-3-ylamino}-2-hydroxy-N,N-dimethyl-benzamide BDBM50227005
Inchi Key	GEWHNBHOBDABRZ-WYXXSATOSA-N
Inchi ID	InChI=1S/C21H27N5O4S/c1-11(2)17(16-10-12(3)13(4)30-16)23-20-19(24-31(29)25-20)22-15-9-7-8-14(18(15)27)21(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-,31?/m1/s1
PubChem CID	135457545
ChEMBL	CHEMBL254943
IUPHAR	N/A
BindingDB	50227005
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	2.7 nM	PMID18006311	BindingDB,ChEMBL

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