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GPCR

NameC-X-C chemokine receptor type 1
SpeciesHomo sapiens (Human)
GeneCXCR1
SynonymCDw128a
IL8RA
IL-8R A
IL-8 receptor type I
IL-8 receptor type 1
[ 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

NameCHEMBL402952
Molecular formulaC26H24ClN3O5
IUPAC name3-[[2-[1-[5-(2-chlorophenyl)furan-2-yl]propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight493.944
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP5.0
SynonymsBDBM50233591
SCHEMBL12262774
3-(2-(1-(5-(2-chlorophenyl)furan-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
Inchi KeyCJWSDDBPXOYIGG-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24ClN3O5/c1-4-17(20-13-12-19(35-20)14-8-5-6-10-16(14)27)28-21-22(25(33)24(21)32)29-18-11-7-9-15(23(18)31)26(34)30(2)3/h5-13,17,28-29,31H,4H2,1-3H3
PubChem CID44446577
ChEMBLCHEMBL402952
IUPHARN/A
BindingDB50233591
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC504870.0 nMPMID18242983BindingDB,ChEMBL

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