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GPCR

NameProbable G-protein coupled receptor 139
SpeciesHomo sapiens (Human)
GeneGPR139
SynonymG(q)-coupled orphan receptor GPRg1
G-protein-coupled receptor PGR3
GPR139
GPRG1
DiseaseN/A
Length353
Amino acid sequenceMEHTHAHLAANSSLSWWSPGSACGLGFVPVVYYSLLLCLGLPANILTVIILSQLVARRQKSSYNYLLALAAADILVLFFIVFVDFLLEDFILNMQMPQVPDKIIEVLEFSSIHTSIWITVPLTIDRYIAVCHPLKYHTVSYPARTRKVIVSVYITCFLTSIPYYWWPNIWTEDYISTSVHHVLIWIHCFTVYLVPCSIFFILNSIIVYKLRRKSNFRLRGYSTGKTTAILFTITSIFATLWAPRIIMILYHLYGAPIQNRWLVHIMSDIANMLALLNTAINFFLYCFISKRFRTMAAATLKAFFKCQKQPVQFYTNHNFSITSSPWISPANSHCIKMLVYQYDKNGKPIKVSP
UniProtQ6DWJ6
Protein Data BankN/A
GPCR-HGmod modelQ6DWJ6
3D structure modelThis predicted structure model is from GPCR-EXP Q6DWJ6.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3632455
IUPHAR130
DrugBankN/A

Ligand

NameSCHEMBL17766994
Molecular formulaC19H19FN4O2
IUPAC nameN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(6-fluoro-4-oxo-1,2,3-benzotriazin-3-yl)acetamide
Molecular weight354.385
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM263484
(s)-n-(1-(2,4-dimethylphenyl)ethyl)-2-(6-fluoro-4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)acetamide
US9556130, test 52
Inchi KeyFVQNXYAXDJPHPI-ZDUSSCGKSA-N
Inchi IDInChI=1S/C19H19FN4O2/c1-11-4-6-15(12(2)8-11)13(3)21-18(25)10-24-19(26)16-9-14(20)5-7-17(16)22-23-24/h4-9,13H,10H2,1-3H3,(H,21,25)/t13-/m0/s1
PubChem CID121349614
ChEMBLN/A
IUPHARN/A
BindingDB263484
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki39.0 nMN/ABindingDB

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