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GPCR

NameC-X-C chemokine receptor type 2
SpeciesHomo sapiens (Human)
GeneCXCR2
Synonymchemokine (C-X-C motif) receptor 2
KC receptor
CD128
IL8RB
IL-8R2
[ Show all ]
DiseaseCystic fibrosis; Chronic obstructive pulmonary disease
Asthma
Cancer
Ischemia-reperfusion injury; Lung transplantation; Graft rejection in heart transplantation
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

NameCHEMBL3342301
Molecular formulaC23H18FN3OS
IUPAC nameN-(4-fluorophenyl)-6-[(3-pyrrol-1-ylphenyl)methylsulfanyl]pyridine-3-carboxamide
Molecular weight403.475
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
SynonymsUS8981106, 38
BDBM150849
Inchi KeyASQFYNBHCZKSAZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H18FN3OS/c24-19-7-9-20(10-8-19)26-23(28)18-6-11-22(25-15-18)29-16-17-4-3-5-21(14-17)27-12-1-2-13-27/h1-15H,16H2,(H,26,28)
PubChem CID46897631
ChEMBLCHEMBL3342301
IUPHARN/A
BindingDB150849
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nM, PMID25254640, NoneBindingDB,ChEMBL

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