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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

NameCHEMBL39835
Molecular formulaC14H11FN2O3S
IUPAC name2-[5-[(4-fluorophenyl)carbamoyl]pyridin-2-yl]sulfanylacetic acid
Molecular weight306.311
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.2
Synonyms[5-(4-Fluoro-phenylcarbamoyl)-pyridin-2-ylsulfanyl]-acetic acid
AIDNQXLLHNXJPG-UHFFFAOYSA-N
[5-(4-fluorophenylcarbamoyl)pyridin-2-ylsulfanyl]acetic acid
BDBM50113636
SCHEMBL5845286
Inchi KeyAIDNQXLLHNXJPG-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H11FN2O3S/c15-10-2-4-11(5-3-10)17-14(20)9-1-6-12(16-7-9)21-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)
PubChem CID10018018
ChEMBLCHEMBL39835
IUPHARN/A
BindingDB50113636
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<5000.0 nMPMID25254640BindingDB,ChEMBL
IC501200.0 nMPMID12031332BindingDB,ChEMBL

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