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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

NameSCHEMBL1199104
Molecular formulaC17H18Cl2N4O4S
IUPAC name1-(4-chloro-2-hydroxy-3-piperidin-4-ylsulfonylphenyl)-3-(2-chloropyridin-3-yl)urea
Molecular weight445.315
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.6
SynonymsCHEMBL3892206
Inchi KeyAXDQQCQGTFACRR-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H18Cl2N4O4S/c18-11-3-4-12(22-17(25)23-13-2-1-7-21-16(13)19)14(24)15(11)28(26,27)10-5-8-20-9-6-10/h1-4,7,10,20,24H,5-6,8-9H2,(H2,22,23,25)
PubChem CID57649037
ChEMBLCHEMBL3892206
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50>30000.0 nMNoneChEMBL

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