Showing entry for Gs-39783


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0039350
Compound NameGs-39783
Structure
FormulaC15H23N5O2S
InchiKeyGSGVDKOCBKBMGG-UHFFFAOYSA-N
SMILESCSc1nc(NC2CCCC2)c(c(=NC2CCCC2)[nH]1)N(=O)=O
InchiInChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)
IUPAC4-N,6-N-dicyclopentyl-2-methylsulfanyl-5-nitropyrimidine-4,6-diamine
Molecular Weight337.16
Pubchem Id6604928
Chembl IdCHEMBL392394
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB QDA
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Q9UBS5 BXGT021662 Gamma-aminobutyric acid type B receptor subunit 1 reviewed GABBR1 G-protein coupled receptor - - - -
Binding DB 86283
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT012624 Sodium-dependent dopamine transporter reviewed Transporter SLC6A3 1988 - - -
reviewed BXGT008935 Sodium-dependent noradrenaline transporter reviewed Transporter SLC6A2 224 - - -
reviewed BXGT022401 Gamma-aminobutyric acid type B receptor subunit 1 reviewed Gabbr1 32.36 - - -
reviewed BXGT022401 Gamma-aminobutyric acid type B receptor subunit 1 reviewed Gabbr1 2.75 - - -
CHEMBL CHEMBL392394
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 '=' 3981 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 '=' 1995 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Potency '=' 1995 nM
O75899 BXGT005161 Gamma-aminobutyric acid type B receptor subunit 2 reviewed G-protein coupled receptor GABBR2 Efficacy '=' 153 %
Q9UBS5 BXGT021662 Gamma-aminobutyric acid type B receptor subunit 1 reviewed G-protein coupled receptor GABBR1 Efficacy '=' 153 %
O75899 BXGT005161 Gamma-aminobutyric acid type B receptor subunit 2 reviewed G-protein coupled receptor GABBR2 Emax '=' 146 %
Q9UBS5 BXGT021662 Gamma-aminobutyric acid type B receptor subunit 1 reviewed G-protein coupled receptor GABBR1 Emax '=' 146 %
O75899 BXGT005161 Gamma-aminobutyric acid type B receptor subunit 2 reviewed G-protein coupled receptor GABBR2 Efficacy '=' 132 %
Q9UBS5 BXGT021662 Gamma-aminobutyric acid type B receptor subunit 1 reviewed G-protein coupled receptor GABBR1 Efficacy '=' 132 %
O75899 BXGT005161 Gamma-aminobutyric acid type B receptor subunit 2 reviewed G-protein coupled receptor GABBR2 EC50 '=' 741 nM
Q9UBS5 BXGT021662 Gamma-aminobutyric acid type B receptor subunit 1 reviewed G-protein coupled receptor GABBR1 EC50 '=' 741 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Potency '=' 5011 nM
O75899 BXGT005161 Gamma-aminobutyric acid type B receptor subunit 2 reviewed G-protein coupled receptor GABBR2 Activity '=' 192 %
Q9UBS5 BXGT021662 Gamma-aminobutyric acid type B receptor subunit 1 reviewed G-protein coupled receptor GABBR1 Activity '=' 192 %
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 39810 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 39810 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 '=' 5011 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 891 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 - - -
P15917 BXGT008169 Lethal factor reviewed - lef Potency '=' 10000 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 - - -
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 15848 nM
Q9UBS5 BXGT021662 Gamma-aminobutyric acid type B receptor subunit 1 reviewed G-protein coupled receptor GABBR1 EC50 '=' 79 nM
Q9UBS5 BXGT021662 Gamma-aminobutyric acid type B receptor subunit 1 reviewed G-protein coupled receptor GABBR1 %max '=' 90 %
Q9UBS5 BXGT021662 Gamma-aminobutyric acid type B receptor subunit 1 reviewed G-protein coupled receptor GABBR1 Activity '=' 0 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02635 Ephedra sinica Ephedra sinica Medicinal Plant
BXGF03282 Ephedra intermedia Ephedra intermedia Medicinal Plant
BXGF04564 Ephedra equisetina Ephedra equisetina Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease