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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

NameCHEMBL3342378
Molecular formulaC19H20N6O
IUPAC nameN-methyl-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]benzamide
Molecular weight348.41
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.2
SynonymsBDBM50030775
Inchi KeyPQLZKIZGFLHPNB-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20N6O/c1-20-18(26)14-8-6-13(7-9-14)12-23-17-11-16(24-19(21-2)25-17)15-5-3-4-10-22-15/h3-11H,12H2,1-2H3,(H,20,26)(H2,21,23,24,25)
PubChem CID118716419
ChEMBLCHEMBL3342378
IUPHARN/A
BindingDB50030775
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC508.0 nMPMID25313322BindingDB
EC508.0 nMPMID25313322ChEMBL

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