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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

NameCHEMBL185176
Molecular formulaC22H24N2O2
IUPAC name3-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-5-phenyl-1,2-oxazole
Molecular weight348.446
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50150570
1-Methyl-4-[4-(5-phenyl-isoxazol-3-yl)-phenoxymethyl]-piperidine
Inchi KeyHMHNMSXFRDUUOB-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N2O2/c1-24-13-11-17(12-14-24)16-25-20-9-7-18(8-10-20)21-15-22(26-23-21)19-5-3-2-4-6-19/h2-10,15,17H,11-14,16H2,1H3
PubChem CID9968185
ChEMBLCHEMBL185176
IUPHARN/A
BindingDB50150570
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC507600.0 nMPMID15261292BindingDB,ChEMBL

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