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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

NameCHEMBL3342359
Molecular formulaC14H17N5
IUPAC name4-N-(cyclopropylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
Molecular weight255.325
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.2
SynonymsBDBM50030773
Inchi KeyXYYAWWCGBSMEAW-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H17N5/c1-15-14-18-12(11-4-2-3-7-16-11)8-13(19-14)17-9-10-5-6-10/h2-4,7-8,10H,5-6,9H2,1H3,(H2,15,17,18,19)
PubChem CID118716402
ChEMBLCHEMBL3342359
IUPHARN/A
BindingDB50030773
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50115.0 nMPMID25313322BindingDB,ChEMBL

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