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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

NameCHEMBL60066
Molecular formulaC12H8ClFN2O2
IUPAC name6-chloro-N-(4-fluorophenyl)-1-oxidopyridin-1-ium-3-carboxamide
Molecular weight266.656
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.8
SynonymsSCHEMBL3228209
6-Chloro-N-(4-fluoro-phenyl)-1-oxy-nicotinamide
2-Chloro-5-(4-fluorophenylaminocarbonyl)pyridine 1-oxide
BDBM50102221
MEWOMDUCJFJDGL-UHFFFAOYSA-N
Inchi KeyMEWOMDUCJFJDGL-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H8ClFN2O2/c13-11-6-1-8(7-16(11)18)12(17)15-10-4-2-9(14)3-5-10/h1-7H,(H,15,17)
PubChem CID9795327
ChEMBLCHEMBL60066
IUPHARN/A
BindingDB50102221
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition68.0 %PMID11459668ChEMBL

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