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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	CHEMBL3658348
Molecular formula	C19H13F4N3O4S
IUPAC name	N-(5-fluoropyridin-2-yl)-6-[[2-hydroxy-5-(trifluoromethoxy)phenyl]methylsulfinyl]pyridine-3-carboxamide
Molecular weight	455.384
Hydrogen bond acceptor	11
Hydrogen bond donor	2
XlogP	2.9
Synonyms	BDBM150986 US8981106, 175
Inchi Key	ADGKVDMZEPMSEV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H13F4N3O4S/c20-13-2-5-16(24-9-13)26-18(28)11-1-6-17(25-8-11)31(29)10-12-7-14(3-4-15(12)27)30-19(21,22)23/h1-9,27H,10H2,(H,24,26,28)
PubChem CID	91937341
ChEMBL	CHEMBL3658348
IUPHAR	N/A
BindingDB	150986
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
IC50	1230.0 nM	, None	BindingDB,ChEMBL

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