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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

NameCHEMBL3658335
Molecular formulaC22H16BrFN2O3S
IUPAC name6-[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
Molecular weight487.343
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM150963
US8981106, 152
Inchi KeyAFLZPOJKVQYXHK-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H16BrFN2O3S/c23-15-9-13-7-8-29-21(13)18(10-15)19(27)12-30-20-6-1-14(11-25-20)22(28)26-17-4-2-16(24)3-5-17/h1-6,9-11H,7-8,12H2,(H,26,28)
PubChem CID91937328
ChEMBLCHEMBL3658335
IUPHARN/A
BindingDB150963
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50529.0 nM, NoneBindingDB,ChEMBL

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