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GPCR

NameC-X-C chemokine receptor type 2
SpeciesOryctolagus cuniculus (Rabbit)
GeneCXCR2
SynonymCXC-R2
CXCR-2
GRO/MGSA receptor
High affinity interleukin-8 receptor B
IL-8R B
DiseaseN/A for non-human GPCRs
Length358
Amino acid sequenceMQEFTWENYSYEDFFGDFSNYSYSTDLPPTLLDSAPCRSESLETNSYVVLITYILVFLLSLLGNSLVMLVILYSRSTCSVTDVYLLNLAIADLLFATTLPIWAASKVHGWTFGTPLCKVVSLVKEVNFYSGILLLACISVDRYLAIVHATRTMIQKRHLVKFICLSMWGVSLILSLPILLFRNAIFPPNSSPVCYEDMGNSTAKWRMVLRILPQTFGFILPLLVMLFCYVFTLRTLFQAHMGQKHRAMRVIFAVVLIFLLCWLPYNLVLLTDTLMRTHVIQETCERRNDIDRALDATEILGFLHSCLNPIIYAFIGQKFRYGLLKILAAHGLISKEFLAKESRPSFVASSSGNTSTTL
UniProtP35344
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075198
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL440405
Molecular formulaC20H18FN3O3S
IUPAC name4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylsulfonylbutanamide
Molecular weight399.44
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.0
SynonymsBDBM50236305
4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(methylsulfonyl)butanamide
Inchi KeyOVTPSSRHMPJRCX-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18FN3O3S/c1-28(26,27)24-19(25)4-2-3-16-17-11-13(12-22)5-10-18(17)23-20(16)14-6-8-15(21)9-7-14/h5-11,23H,2-4H2,1H3,(H,24,25)
PubChem CID44447915
ChEMBLCHEMBL440405
IUPHARN/A
BindingDB50236305
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502100.0 nMPMID18308567BindingDB,ChEMBL

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