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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

NameCHEMBL218665
Molecular formulaC17H15BrF3N5O3S
IUPAC name2-(2-bromophenyl)-1-cyano-3-[3-(dimethylsulfamoyl)-2-hydroxy-4-(trifluoromethyl)phenyl]guanidine
Molecular weight506.298
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP4.3
Synonyms3-{[[(2-bromophenyl)amino](cyanoimino)methyl]amino}-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzenesulfonamide
BDBM50193971
Inchi KeyCSVHKWZKMWYMAX-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H15BrF3N5O3S/c1-26(2)30(28,29)15-10(17(19,20)21)7-8-13(14(15)27)25-16(23-9-22)24-12-6-4-3-5-11(12)18/h3-8,27H,1-2H3,(H2,23,24,25)
PubChem CID44419482
ChEMBLCHEMBL218665
IUPHARN/A
BindingDB50193971
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50100.0 nMPMID16934456BindingDB,ChEMBL

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