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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

NameCHEMBL3342361
Molecular formulaC16H21N5O
IUPAC name4-N-(cyclopropylmethyl)-2-N-(2-methoxyethyl)-6-pyridin-2-ylpyrimidine-2,4-diamine
Molecular weight299.378
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.1
SynonymsBDBM50030771
Inchi KeyMEUJEFXAFFFCIX-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H21N5O/c1-22-9-8-18-16-20-14(13-4-2-3-7-17-13)10-15(21-16)19-11-12-5-6-12/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H2,18,19,20,21)
PubChem CID118716404
ChEMBLCHEMBL3342361
IUPHARN/A
BindingDB50030771
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC502204.0 nMPMID25313322BindingDB,ChEMBL

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