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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	CHEMBL3342292
Molecular formula	C19H14FN3O3S
IUPAC name	N-(4-fluorophenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carboxamide
Molecular weight	383.397
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.0
Synonyms	BDBM50028387 US8981106, 39 BDBM150850
Inchi Key	ARSWLECEUGEWQH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H14FN3O3S/c20-15-4-6-16(7-5-15)22-19(24)14-3-10-18(21-11-14)27-12-13-1-8-17(9-2-13)23(25)26/h1-11H,12H2,(H,22,24)
PubChem CID	46897632
ChEMBL	CHEMBL3342292
IUPHAR	N/A
BindingDB	150850, 50028387
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<5000.0 nM	PMID25254640	BindingDB,ChEMBL
IC50	<10000.0 nM	, None	BindingDB,ChEMBL

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