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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

Name(S)-N-(1-(4-methoxyphenyl)ethyl)-2-(4-oxo-6-(trifluoromethyl)benzo[d][1,2,3]triazin-3 (4H)-yl)acetamide
Molecular formulaC19H17F3N4O3
IUPAC nameN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-oxo-6-(trifluoromethyl)-1,2,3-benzotriazin-3-yl]acetamide
Molecular weight406.365
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM263481
US9556130, test 44
FUWMUUAHZQTWMB-NSHDSACASA-N
SCHEMBL17767118
Inchi KeyFUWMUUAHZQTWMB-NSHDSACASA-N
Inchi IDInChI=1S/C19H17F3N4O3/c1-11(12-3-6-14(29-2)7-4-12)23-17(27)10-26-18(28)15-9-13(19(20,21)22)5-8-16(15)24-25-26/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1
PubChem CID121349710
ChEMBLN/A
IUPHARN/A
BindingDB263481
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2531.0 nMN/ABindingDB

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