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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

NameCHEMBL3609001
Molecular formulaC20H19BFN3O3
IUPAC name[2-[[[5-[(4-fluorophenyl)carbamoyl]pyridin-2-yl]-methylamino]methyl]phenyl]boronic acid
Molecular weight379.198
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogPNone
SynonymsBDBM50115221
SCHEMBL10083584
Inchi KeyBJYSIZPQBHWCMT-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19BFN3O3/c1-25(13-15-4-2-3-5-18(15)21(27)28)19-11-6-14(12-23-19)20(26)24-17-9-7-16(22)8-10-17/h2-12,27-28H,13H2,1H3,(H,24,26)
PubChem CID56839292
ChEMBLCHEMBL3609001
IUPHARN/A
BindingDB50115221
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
IC50<5000.0 nMPMID26248802BindingDB,ChEMBL

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