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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

NameBDBM50227009
Molecular formulaC20H23N5O4S
IUPAC name3-[[4-[[(R)-furan-2-yl-(1-methylcyclopropyl)methyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight429.495
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.4
Synonyms3-(4-{[(R)-furan-2-yl-(1-methyl-cyclopropyl)-methyl]-amino}-1-oxo-1H-1lambda4-[1,2,5]thiadiazol-3-ylamino)-2-hydroxy-N,N-dimethyl-benzamide
Inchi KeyCMANXHXTSWTYRG-XSTXYMSBSA-N
Inchi IDInChI=1S/C20H23N5O4S/c1-20(9-10-20)16(14-8-5-11-29-14)22-18-17(23-30(28)24-18)21-13-7-4-6-12(15(13)26)19(27)25(2)3/h4-8,11,16,26H,9-10H2,1-3H3,(H,21,23)(H,22,24)/t16-,30?/m0/s1
PubChem CID136104502
ChEMBLCHEMBL252911
IUPHARN/A
BindingDB50227009
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki375.0 nMPMID18006311BindingDB,ChEMBL

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