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GPCR

NameG-protein coupled receptor 39
SpeciesMus musculus (Mouse)
GeneGpr39
SynonymGPR39
DiseaseN/A for non-human GPCRs
Length456
Amino acid sequenceMASSSGSNHICSRVIDHSHVPEFEVATWIKITLILVYLIIFVVGILGNSVTIRVTQVLQKKGYLQKEVTDHMVSLACSDILVFLIGMPMEFYSIIWNPLTTPSYALSCKLHTFLFETCSYATLLHVLTLSFERYIAICHPFKYKAVSGPRQVKLLIGFVWVTSALVALPLLFAMGIEYPLVNVPTHKGLNCNLSRTRHHDEPGNSNMSICTNLSNRWEVFQSSIFGAFAVYLVVLASVAFMCWNMMKVLMKSKQGTLAGTGPQLQLRKSESEESRTARRQTIIFLRLIVVTLAVCWMPNQIRRIMAAAKPKHDWTRTYFRAYMILLPFSDTFFYLSSVVNPLLYNVSSQQFRKVFWQVLCCRLTLQHANQEKRQRARFISTKDSTSSARSPLIFLASRRSNSSSRRTNKVFLSTFQTEAKPGEAKPQPLSPESPQTGSETKPAGSTTENSLQEQEV
UniProtQ5U431
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3341584
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3342368
Molecular formulaC16H16N6
IUPAC name2-N-methyl-6-pyridin-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
Molecular weight292.346
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.9
SynonymsBDBM50030785
Inchi KeyPZFFKFAUQFEDHR-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H16N6/c1-17-16-21-14(13-4-2-3-7-19-13)10-15(22-16)20-11-12-5-8-18-9-6-12/h2-10H,11H2,1H3,(H2,17,20,21,22)
PubChem CID118716411
ChEMBLCHEMBL3342368
IUPHARN/A
BindingDB50030785
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50304.0 nMPMID25313322BindingDB,ChEMBL

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