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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

NameSCHEMBL17766940
Molecular formulaC18H16F2N4O3
IUPAC nameN-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
Molecular weight374.348
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM263498
(s)-n-(1-(4-(difluoromethoxy)phenyl)ethyl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)acetamide
US9556130, test 66
Inchi KeyWCYBVBQGXJOEJY-NSHDSACASA-N
Inchi IDInChI=1S/C18H16F2N4O3/c1-11(12-6-8-13(9-7-12)27-18(19)20)21-16(25)10-24-17(26)14-4-2-3-5-15(14)22-23-24/h2-9,11,18H,10H2,1H3,(H,21,25)/t11-/m0/s1
PubChem CID121349574
ChEMBLN/A
IUPHARN/A
BindingDB263498
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki677.0 nMN/ABindingDB

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