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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

NameCHEMBL3915853
Molecular formulaC24H27N3O5S
IUPAC name2-hydroxy-N,N-dimethyl-3-[[2-[[(5-methylfuran-2-yl)-(thian-4-yl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
Molecular weight469.556
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.6
SynonymsSCHEMBL14895104
Inchi KeyIBEUBSDJSIGMBZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27N3O5S/c1-13-7-8-17(32-13)18(14-9-11-33-12-10-14)26-20-19(22(29)23(20)30)25-16-6-4-5-15(21(16)28)24(31)27(2)3/h4-8,14,18,25-26,28H,9-12H2,1-3H3
PubChem CID71550940
ChEMBLCHEMBL3915853
IUPHARN/A
BindingDB177693
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503391.0 nM, NoneBindingDB,ChEMBL

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