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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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GPCR

NameC-X-C chemokine receptor type 2
SpeciesHomo sapiens (Human)
GeneCXCR2
SynonymCXC-R2
IL-8R2
CD128
CDw128b
IL-8R B
[ Show all ]
DiseaseAsthma
Cancer
Chronic obstructive pulmonary disease
Cystic fibrosis; Chronic obstructive pulmonary disease
Fungal infections
[ Show all ]
Length360
Amino acid sequenceMEDFNMESDSFEDFWKGEDLSNYSYSSTLPPFLLDAAPCEPESLEINKYFVVIIYALVFLLSLLGNSLVMLVILYSRVGRSVTDVYLLNLALADLLFALTLPIWAASKVNGWIFGTFLCKVVSLLKEVNFYSGILLLACISVDRYLAIVHATRTLTQKRYLVKFICLSIWGLSLLLALPVLLFRRTVYSSNVSPACYEDMGNNTANWRMLLRILPQSFGFIVPLLIMLFCYGFTLRTLFKAHMGQKHRAMRVIFAVVLIFLLCWLPYNLVLLADTLMRTQVIQETCERRNHIDRALDATEILGILHSCLNPLIYAFIGQKFRHGLLKILAIHGLISKDSLPKDSRPSFVGSSSGHTSTTL
UniProtP25025
Protein Data BankN/A
GPCR-HGmod modelP25025
3D structure modelThis predicted structure model is from GPCR-EXP P25025.
BioLiPN/A
Therapeutic Target DatabaseT56923
ChEMBLCHEMBL2434
IUPHAR69
DrugBankN/A

Ligand

NameCHEMBL294095
Molecular formulaC14H13FN2O4S
IUPAC name6-ethylsulfonyl-N-(4-fluorophenyl)-1-oxidopyridin-1-ium-3-carboxamide
Molecular weight324.326
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP0.7
SynonymsSCHEMBL3218773
BDBM50102216
6-Ethanesulfonyl-N-(4-fluoro-phenyl)-1-oxy-nicotinamide
2-(Ethylsulfonyl)-5-(4-fluorophenylaminocarbonyl)pyridine 1-oxide
Inchi KeyGYTDPDSEJRDDCB-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H13FN2O4S/c1-2-22(20,21)13-8-3-10(9-17(13)19)14(18)16-12-6-4-11(15)5-7-12/h3-9H,2H2,1H3,(H,16,18)
PubChem CID9967031
ChEMBLCHEMBL294095
IUPHARN/A
BindingDB50102216
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50130.0 nMPMID11459668BindingDB,ChEMBL
Inhibition97.0 %PMID11459668ChEMBL

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