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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

NameCHEMBL3701192
Molecular formulaC25H27N3O7
IUPAC name3-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]-4-[[(5-methylfuran-2-yl)-(3-methyloxetan-3-yl)methyl]amino]cyclobut-3-ene-1,2-dione
Molecular weight481.505
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP2.1
Synonyms3-[2-Hydroxy-3-(morpholine-4-carbonyl)phenylamino]-4-{[(5-methylfuran-2-yl)-(3-methyloxetan-3-yl)methyl]amino}cyclobut-3-ene-1,2-dione
GENDPWSLDZSRJG-UHFFFAOYSA-N
SCHEMBL14894651
Inchi KeyGENDPWSLDZSRJG-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N3O7/c1-14-6-7-17(35-14)23(25(2)12-34-13-25)27-19-18(21(30)22(19)31)26-16-5-3-4-15(20(16)29)24(32)28-8-10-33-11-9-28/h3-7,23,26-27,29H,8-13H2,1-2H3
PubChem CID71525345
ChEMBLCHEMBL3701192
IUPHARN/A
BindingDB172335
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503171.0 nM, NoneBindingDB,ChEMBL

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