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GPCR

NameC-X-C chemokine receptor type 2
SpeciesHomo sapiens (Human)
GeneCXCR2
SynonymCXC-R2
IL-8R2
CD128
CDw128b
IL-8R B
[ Show all ]
DiseaseAsthma
Cancer
Chronic obstructive pulmonary disease
Cystic fibrosis; Chronic obstructive pulmonary disease
Fungal infections
[ Show all ]
Length360
Amino acid sequenceMEDFNMESDSFEDFWKGEDLSNYSYSSTLPPFLLDAAPCEPESLEINKYFVVIIYALVFLLSLLGNSLVMLVILYSRVGRSVTDVYLLNLALADLLFALTLPIWAASKVNGWIFGTFLCKVVSLLKEVNFYSGILLLACISVDRYLAIVHATRTLTQKRYLVKFICLSIWGLSLLLALPVLLFRRTVYSSNVSPACYEDMGNNTANWRMLLRILPQSFGFIVPLLIMLFCYGFTLRTLFKAHMGQKHRAMRVIFAVVLIFLLCWLPYNLVLLADTLMRTQVIQETCERRNHIDRALDATEILGILHSCLNPLIYAFIGQKFRHGLLKILAIHGLISKDSLPKDSRPSFVGSSSGHTSTTL
UniProtP25025
Protein Data BankN/A
GPCR-HGmod modelP25025
3D structure modelThis predicted structure model is from GPCR-EXP P25025.
BioLiPN/A
Therapeutic Target DatabaseT56923
ChEMBLCHEMBL2434
IUPHAR69
DrugBankN/A

Ligand

NameSCHEMBL1198537
Molecular formulaC21H23ClFN3O4S
IUPAC name1-[3-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-4-chloro-2-hydroxyphenyl]-3-(3-fluoro-2-methylphenyl)urea
Molecular weight467.94
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.8
SynonymsCHEMBL3952903
SCHEMBL1198986
SCHEMBL12878816
Inchi KeyFLPRVHAJERWVDF-PBWFPOADSA-N
Inchi IDInChI=1S/C21H23ClFN3O4S/c1-11-16(23)3-2-4-17(11)25-21(28)26-18-8-7-15(22)20(19(18)27)31(29,30)14-9-12-5-6-13(10-14)24-12/h2-4,7-8,12-14,24,27H,5-6,9-10H2,1H3,(H2,25,26,28)/t12-,13+,14?
PubChem CID57649026
ChEMBLCHEMBL3952903
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
IC505.0 nMNoneChEMBL
IC50>30000.0 nMNoneChEMBL

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