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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	CHEMBL430376
Molecular formula	C13H10ClN3O4
IUPAC name	1-(5-chloro-2-hydroxy-4-nitrophenyl)-3-phenylurea
Molecular weight	307.69
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	2.6
Synonyms	D05CCF ZINC3917497 AKOS024384929 MolPort-001-764-839 117745-34-3 ST51035461 AC1MXJKZ DTXSID10396461 ZX-AT026392 BDBM50203018 N-(5-chloro-2-hydroxy-4-nitrophenyl)(phenylamino)carboxamide 3-(5-chloro-2-hydroxy-4-nitrophenyl)-1-phenylurea CTK0G0114 Urea, N-(5-chloro-2-hydroxy-4-nitrophenyl)-N'-phenyl- ACMC-20mnej MCULE-2402836101 1-(5-chloro-2-hydroxy-4-nitrophenyl)-3-phenylurea SCHEMBL4241814 [ Show all ]
Inchi Key	ASMCVDDUQQZBFK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H10ClN3O4/c14-9-6-10(12(18)7-11(9)17(20)21)16-13(19)15-8-4-2-1-3-5-8/h1-7,18H,(H2,15,16,19)
PubChem CID	3791448
ChEMBL	CHEMBL430376
IUPHAR	N/A
BindingDB	50203018
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	950.0 nM	PMID17236763	BindingDB,ChEMBL

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