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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL254572
Molecular formula	C23H21F4N3O4
IUPAC name	3-[[2-[[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight	479.432
Hydrogen bond acceptor	10
Hydrogen bond donor	3
XlogP	4.6
Synonyms	BDBM50236060 (R)-3-(2-(1-(4-fluoro-3-(trifluoromethyl)phenyl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
Inchi Key	AMARTMBZWFOXQM-OAHLLOKOSA-N
Inchi ID	InChI=1S/C23H21F4N3O4/c1-4-15(11-8-9-14(24)13(10-11)23(25,26)27)28-17-18(21(33)20(17)32)29-16-7-5-6-12(19(16)31)22(34)30(2)3/h5-10,15,28-29,31H,4H2,1-3H3/t15-/m1/s1
PubChem CID	44447958
ChEMBL	CHEMBL254572
IUPHAR	N/A
BindingDB	50236060
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	38.5 nM	PMID18304809	ChEMBL
Ki	39.0 nM	PMID18304809	BindingDB

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