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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

NameCHEMBL3704559
Molecular formulaC25H27N3O6
IUPAC name3-[3-(3-hydroxypyrrolidine-1-carbonyl)anilino]-4-[[(5-methylfuran-2-yl)-(3-methyloxetan-3-yl)methyl]amino]cyclobut-3-ene-1,2-dione
Molecular weight465.506
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP1.8
SynonymsSCHEMBL14894242
Inchi KeyHYFWWMDGIYIRBQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N3O6/c1-14-6-7-18(34-14)23(25(2)12-33-13-25)27-20-19(21(30)22(20)31)26-16-5-3-4-15(10-16)24(32)28-9-8-17(29)11-28/h3-7,10,17,23,26-27,29H,8-9,11-13H2,1-2H3
PubChem CID71525607
ChEMBLCHEMBL3704559
IUPHARN/A
BindingDB172351
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503533.0 nM, NoneBindingDB,ChEMBL

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