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GPCR

NameC-X-C chemokine receptor type 1
SpeciesHomo sapiens (Human)
GeneCXCR1
SynonymCDw128a
IL8RA
IL-8R A
IL-8 receptor type I
IL-8 receptor type 1
[ Show all ]
DiseaseN/A
Length350
Amino acid sequenceMSNITDPQMWDFDDLNFTGMPPADEDYSPCMLETETLNKYVVIIAYALVFLLSLLGNSLVMLVILYSRVGRSVTDVYLLNLALADLLFALTLPIWAASKVNGWIFGTFLCKVVSLLKEVNFYSGILLLACISVDRYLAIVHATRTLTQKRHLVKFVCLGCWGLSMNLSLPFFLFRQAYHPNNSSPVCYEVLGNDTAKWRMVLRILPHTFGFIVPLFVMLFCYGFTLRTLFKAHMGQKHRAMRVIFAVVLIFLLCWLPYNLVLLADTLMRTQVIQESCERRNNIGRALDATEILGFLHSCLNPIIYAFIGQNFRHGFLKILAMHGLVSKEFLARHRVTSYTSSSVNVSSNL
UniProtP25024
Protein Data BankN/A
GPCR-HGmod modelP25024
3D structure modelThis predicted structure model is from GPCR-EXP P25024.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4029
IUPHAR68
DrugBankBE0003552

Ligand

NameCHEMBL61835
Molecular formulaC13H11FN2O4S
IUPAC nameN-(4-fluorophenyl)-6-methylsulfonyl-1-oxidopyridin-1-ium-3-carboxamide
Molecular weight310.299
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP0.4
SynonymsBDBM50102219
N-(4-Fluoro-phenyl)-6-methanesulfonyl-1-oxy-nicotinamide
2-(Methylsulfonyl)-5-(4-fluorophenylaminocarbonyl)pyridine 1-oxide
SCHEMBL3220205
Inchi KeyOKQZOGAYHQQAJX-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H11FN2O4S/c1-21(19,20)12-7-2-9(8-16(12)18)13(17)15-11-5-3-10(14)4-6-11/h2-8H,1H3,(H,15,17)
PubChem CID9883149
ChEMBLCHEMBL61835
IUPHARN/A
BindingDB50102219
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition73.0 %PMID11459668ChEMBL

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