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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	CHEMBL3915853
Molecular formula	C24H27N3O5S
IUPAC name	2-hydroxy-N,N-dimethyl-3-[[2-[[(5-methylfuran-2-yl)-(thian-4-yl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
Molecular weight	469.556
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	3.6
Synonyms	SCHEMBL14895104
Inchi Key	IBEUBSDJSIGMBZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H27N3O5S/c1-13-7-8-17(32-13)18(14-9-11-33-12-10-14)26-20-19(22(29)23(20)30)25-16-6-4-5-15(21(16)28)24(31)27(2)3/h4-8,14,18,25-26,28H,9-12H2,1-3H3
PubChem CID	71550940
ChEMBL	CHEMBL3915853
IUPHAR	N/A
BindingDB	177693
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	111.0 nM	, None	BindingDB,ChEMBL

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