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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

NameSCHEMBL17767119
Molecular formulaC18H16F2N4O2
IUPAC nameN-[(1S)-1-(2-fluoro-4-methylphenyl)ethyl]-2-(6-fluoro-4-oxo-1,2,3-benzotriazin-3-yl)acetamide
Molecular weight358.349
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM263486
(s)-n-(1-(2-fluoro-4-methylphenyl)ethyl)-2-(6-fluoro-4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)acetamide
US9556130, test 54
Inchi KeyDBALUIBYEMXWRA-NSHDSACASA-N
Inchi IDInChI=1S/C18H16F2N4O2/c1-10-3-5-13(15(20)7-10)11(2)21-17(25)9-24-18(26)14-8-12(19)4-6-16(14)22-23-24/h3-8,11H,9H2,1-2H3,(H,21,25)/t11-/m0/s1
PubChem CID121349711
ChEMBLN/A
IUPHARN/A
BindingDB263486
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki77.0 nMN/ABindingDB

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