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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

NameCHEMBL184882
Molecular formulaC22H25FN4O2
IUPAC name3-(4-fluorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2,4-oxadiazole
Molecular weight396.466
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.7
SynonymsBDBM50150557
1-(3-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-phenoxy}-propyl)-4-methyl-piperazine
Inchi KeyGNKVFODUBSVFGZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25FN4O2/c1-26-12-14-27(15-13-26)11-2-16-28-20-9-5-18(6-10-20)22-24-21(25-29-22)17-3-7-19(23)8-4-17/h3-10H,2,11-16H2,1H3
PubChem CID10157580
ChEMBLCHEMBL184882
IUPHARN/A
BindingDB50150557
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5010500.0 nMPMID15261292BindingDB,ChEMBL

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