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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

NameCHEMBL363746
Molecular formulaC24H26F3N3O2
IUPAC name5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole
Molecular weight445.486
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.8
SynonymsBDBM50150556
1-Methyl-4-(3-{4-[3-(3-trifluoromethyl-phenyl)-isoxazol-5-yl]-phenoxy}-propyl)-piperazine
Inchi KeyJAYXOYIRNYUIMZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26F3N3O2/c1-29-11-13-30(14-12-29)10-3-15-31-21-8-6-18(7-9-21)23-17-22(28-32-23)19-4-2-5-20(16-19)24(25,26)27/h2,4-9,16-17H,3,10-15H2,1H3
PubChem CID44393748
ChEMBLCHEMBL363746
IUPHARN/A
BindingDB50150556
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC506000.0 nMPMID15261292BindingDB,ChEMBL

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