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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

NameSCHEMBL17767170
Molecular formulaC19H20N4O4
IUPAC nameN-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
Molecular weight368.393
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM263437
(s)-n-(1-(2,4-dimethoxyphenyl)ethyl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)acetamide
US9556130, test 12
Inchi KeySJQFFAMTFHKEGM-LBPRGKRZSA-N
Inchi IDInChI=1S/C19H20N4O4/c1-12(14-9-8-13(26-2)10-17(14)27-3)20-18(24)11-23-19(25)15-6-4-5-7-16(15)21-22-23/h4-10,12H,11H2,1-3H3,(H,20,24)/t12-/m0/s1
PubChem CID121349753
ChEMBLN/A
IUPHARN/A
BindingDB263437
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2644.0 nMN/ABindingDB

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