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GPCR

NameG-protein coupled receptor 39
SpeciesHomo sapiens (Human)
GeneGPR39
SynonymGPR39
DiseaseDiabetes
Length453
Amino acid sequenceMASPSLPGSDCSQIIDHSHVPEFEVATWIKITLILVYLIIFVMGLLGNSATIRVTQVLQKKGYLQKEVTDHMVSLACSDILVFLIGMPMEFYSIIWNPLTTSSYTLSCKLHTFLFEACSYATLLHVLTLSFERYIAICHPFRYKAVSGPCQVKLLIGFVWVTSALVALPLLFAMGTEYPLVNVPSHRGLTCNRSSTRHHEQPETSNMSICTNLSSRWTVFQSSIFGAFVVYLVVLLSVAFMCWNMMQVLMKSQKGSLAGGTRPPQLRKSESEESRTARRQTIIFLRLIVVTLAVCWMPNQIRRIMAAAKPKHDWTRSYFRAYMILLPFSETFFYLSSVINPLLYTVSSQQFRRVFVQVLCCRLSLQHANHEKRLRVHAHSTTDSARFVQRPLLFASRRQSSARRTEKIFLSTFQSEAEPQSKSQSLSLESLEPNSGAKPANSAAENGFQEHEV
UniProtO43194
Protein Data BankN/A
GPCR-HGmod modelO43194
3D structure modelThis predicted structure model is from GPCR-EXP O43194.
BioLiPN/A
Therapeutic Target DatabaseT88531
ChEMBLCHEMBL3091266
IUPHAR105
DrugBankN/A

Ligand

NameCHEMBL3342374
Molecular formulaC18H16F3N5O
IUPAC name2-N-methyl-6-pyridin-2-yl-4-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
Molecular weight375.355
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50030779
Inchi KeyHBGKDBCDSIVHMS-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16F3N5O/c1-22-17-25-15(14-4-2-3-9-23-14)10-16(26-17)24-11-12-5-7-13(8-6-12)27-18(19,20)21/h2-10H,11H2,1H3,(H2,22,24,25,26)
PubChem CID118716415
ChEMBLCHEMBL3342374
IUPHARN/A
BindingDB50030779
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5013.0 nMPMID25313322BindingDB,ChEMBL

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