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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

NameCHEMBL3701184
Molecular formulaC24H27N3O6
IUPAC name3-[[2-[[(3-ethyloxetan-3-yl)-(5-methylfuran-2-yl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight453.495
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.8
SynonymsSCHEMBL14894864
Inchi KeyDNAPDJCKXPGKFH-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27N3O6/c1-5-24(11-32-12-24)22(16-10-9-13(2)33-16)26-18-17(20(29)21(18)30)25-15-8-6-7-14(19(15)28)23(31)27(3)4/h6-10,22,25-26,28H,5,11-12H2,1-4H3
PubChem CID71526603
ChEMBLCHEMBL3701184
IUPHARN/A
BindingDB172323
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501150.0 nM, NoneBindingDB,ChEMBL

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