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GPCR

NameC-X-C chemokine receptor type 1
SpeciesHomo sapiens (Human)
GeneCXCR1
SynonymIL-8 receptor type I
CXCR1
CDw128a
High affinity interleukin-8 receptor A
IL-8 receptor alpha
[ 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

NameCHEMBL183103
Molecular formulaC21H22ClN3O3
IUPAC name4-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]propyl]morpholine
Molecular weight399.875
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.1
Synonyms4-(3-{4-[3-(4-Chloro-phenyl)-[1,2,4]oxadiazol-5-yl]-phenoxy}-propyl)-morpholine
BDBM50150554
Inchi KeyFSBFDGDPVUVAQT-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22ClN3O3/c22-18-6-2-16(3-7-18)20-23-21(28-24-20)17-4-8-19(9-5-17)27-13-1-10-25-11-14-26-15-12-25/h2-9H,1,10-15H2
PubChem CID44393777
ChEMBLCHEMBL183103
IUPHARN/A
BindingDB50150554
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<25000.0 nMPMID15261292BindingDB,ChEMBL

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