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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

NameCHEMBL3704566
Molecular formulaC20H21N3O6
IUPAC name3-[(6-methoxy-2-oxo-1H-pyridin-3-yl)amino]-4-[[(5-methylfuran-2-yl)-(3-methyloxetan-3-yl)methyl]amino]cyclobut-3-ene-1,2-dione
Molecular weight399.403
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP1.5
SynonymsSCHEMBL14895439
Inchi KeyBFIBWVQMMDUUOU-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21N3O6/c1-10-4-6-12(29-10)18(20(2)8-28-9-20)23-15-14(16(24)17(15)25)21-11-5-7-13(27-3)22-19(11)26/h4-7,18,21,23H,8-9H2,1-3H3,(H,22,26)
PubChem CID71525700
ChEMBLCHEMBL3704566
IUPHARN/A
BindingDB172359
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC509999.0 nM, NoneBindingDB,ChEMBL

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