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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

NameCHEMBL3704556
Molecular formulaC25H27N3O6
IUPAC name2-hydroxy-3-[[2-[[(3-methoxyphenyl)-(3-methyloxetan-3-yl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide
Molecular weight465.506
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.0
SynonymsSCHEMBL14894912
Inchi KeyCQIBRHQYWMKXCL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N3O6/c1-25(12-34-13-25)23(14-7-5-8-15(11-14)33-4)27-19-18(21(30)22(19)31)26-17-10-6-9-16(20(17)29)24(32)28(2)3/h5-11,23,26-27,29H,12-13H2,1-4H3
PubChem CID71525511
ChEMBLCHEMBL3704556
IUPHARN/A
BindingDB172348
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC505541.0 nM, NoneBindingDB,ChEMBL

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