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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

NameCHEMBL2324200
Molecular formulaC20H10I4O4
IUPAC name3-(4-hydroxy-2,6-diiodophenyl)-3-(4-hydroxy-3,5-diiodophenyl)-2-benzofuran-1-one
Molecular weight821.914
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.4
SynonymsBDBM50427695
Tetra-iodophenolphthalein
Inchi KeyFSEVMRBUPGTANR-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H10I4O4/c21-13-7-10(25)8-14(22)17(13)20(9-5-15(23)18(26)16(24)6-9)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H
PubChem CID71720517
ChEMBLCHEMBL2324200
IUPHARN/A
BindingDB50427695
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50<32000.0 nMPMID23437772BindingDB,ChEMBL
IC50<100000.0 nMPMID23437772ChEMBL
IC501995.26 nMPMID23437772ChEMBL
IC502200.0 nMPMID23437772BindingDB,ChEMBL

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