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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

NameCHEMBL562781
Molecular formulaC23H25N3O4
IUPAC name3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N,4-trimethylbenzamide
Molecular weight407.47
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.0
SynonymsBDBM50297740
SCHEMBL12086661
(R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1-enylamino)-2-hydroxy-N,N,4-trimethylbenzamide
Inchi KeyAXLRSENOHOPWNY-MRXNPFEDSA-N
Inchi IDInChI=1S/C23H25N3O4/c1-5-16(14-9-7-6-8-10-14)24-18-19(22(29)21(18)28)25-17-13(2)11-12-15(20(17)27)23(30)26(3)4/h6-12,16,24-25,27H,5H2,1-4H3/t16-/m1/s1
PubChem CID44249825
ChEMBLCHEMBL562781
IUPHARN/A
BindingDB50297740
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki381.0 nMPMID19525110BindingDB,ChEMBL

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