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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

NameCHEMBL3342371
Molecular formulaC18H15ClF3N5
IUPAC name4-N-[(4-chlorophenyl)methyl]-6-pyridin-2-yl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
Molecular weight393.798
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50030782
Inchi KeyXBRWTUAIJNEHNK-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H15ClF3N5/c19-13-6-4-12(5-7-13)10-24-16-9-15(14-3-1-2-8-23-14)26-17(27-16)25-11-18(20,21)22/h1-9H,10-11H2,(H2,24,25,26,27)
PubChem CID118716413
ChEMBLCHEMBL3342371
IUPHARN/A
BindingDB50030782
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC501.0 nMPMID25313322BindingDB
EC501.0 nMPMID25313322ChEMBL

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