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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

NameSCHEMBL13207006
Molecular formulaC21H27N5O4S
IUPAC name2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide
Molecular weight445.538
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.3
Synonyms2-hydroxy-3-{4-[(R)-1-(4-isopropyl-furan-2-yl)-propylamino]-1-oxo-1H-1lambda4-[1,2,5]thiadiazol-3-ylamino}-N,N-dimethyl-benzamide
BDBM50226993
Inchi KeyFKEAPOKGKRZRRW-ABLSDCBGSA-N
Inchi IDInChI=1S/C21H27N5O4S/c1-6-15(17-10-13(11-30-17)12(2)3)22-19-20(25-31(29)24-19)23-16-9-7-8-14(18(16)27)21(28)26(4)5/h7-12,15,27H,6H2,1-5H3,(H,22,24)(H,23,25)/t15-,31?/m1/s1
PubChem CID135543782
ChEMBLCHEMBL254942
IUPHARN/A
BindingDB50226993
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki9.0 nMPMID18006311BindingDB,ChEMBL

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