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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

NameCHEMBL184583
Molecular formulaC18H17ClN2O2
IUPAC name1-[3-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenoxy]-N,N-dimethylmethanamine
Molecular weight328.796
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50150560
{3-[5-(4-Chloro-phenyl)-isoxazol-3-yl]-phenoxymethyl}-dimethyl-amine
Inchi KeyBNGDPAYNSWPYMF-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H17ClN2O2/c1-21(2)12-22-16-5-3-4-14(10-16)17-11-18(23-20-17)13-6-8-15(19)9-7-13/h3-11H,12H2,1-2H3
PubChem CID44393569
ChEMBLCHEMBL184583
IUPHARN/A
BindingDB50150560
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC508100.0 nMPMID15261292BindingDB,ChEMBL

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