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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

NameSCHEMBL17767093
Molecular formulaC18H17FN4O3
IUPAC name2-(5-fluoro-4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
Molecular weight356.357
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM263468
(s)-2-(5-fluoro-4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)-n-(1-(4-methoxyphenyl)ethyl)acetamide
US9556130, test 33
Inchi KeyPOOIUAVPFUNLNL-NSHDSACASA-N
Inchi IDInChI=1S/C18H17FN4O3/c1-11(12-6-8-13(26-2)9-7-12)20-16(24)10-23-18(25)17-14(19)4-3-5-15(17)21-22-23/h3-9,11H,10H2,1-2H3,(H,20,24)/t11-/m0/s1
PubChem CID121349688
ChEMBLN/A
IUPHARN/A
BindingDB263468
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki4850.0 nMN/ABindingDB

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