Showing entry for curine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0038807
Compound Namecurine
Structure
FormulaC36H38N2O6
InchiKeyNGZXDRGWBULKFA-VSGBNLITSA-N
SMILESCOc1cc2CCN([C@H]3c2cc1Oc1cc(ccc1O)C[C@H]1N(C)CCc2c1c(Oc1ccc(C3)cc1)c(c(c2)OC)O)C
InchiInChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m1/s1
IUPAC
Molecular Weight594.27
Pubchem Id253793
Chembl IdCHEMBL1169627
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 n.a
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
Binding DB 41947
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 BXGT004604 Galanin receptor type 2 reviewed G-protein coupled receptor GALR2 - - - >55700
reviewed BXGT005431 M1 family aminopeptidase reviewed - - 15210 - -
reviewed BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 - - - 44174
reviewed BXGT010083 Trypanothione reductase reviewed TPR - 60000 - -
CHEMBL CHEMBL1169627
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
Q8IEK1 BXGT018263 M1-family alanyl aminopeptidase unreviewed - PF3D7_1311800 IC50 '=' 15210 nM
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 EC50 '>' 92447 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 354 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 56234 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 50118 nM
Q9QUQ5 BXGT021378 Short transient receptor potential channel 4 reviewed - Trpc4 EC50 - 1333 nM
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 1000 nM
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 EC50 '=' 44174 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 14125 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 10322 nM
O43603 BXGT004604 Galanin receptor type 2 reviewed G-protein coupled receptor GALR2 EC50 '>' 55700 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 4610 nM
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 EC50 '=' 10209 nM
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 EC50 '=' 10209 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 18356 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 4109 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 79432 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 3162 nM
P43351 BXGT010380 DNA repair protein RAD52 homolog reviewed Nucleic acid binding RAD52 AC50 '=' 35210 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 44668 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 3981 nM
P47898 BXGT010594 5-hydroxytryptamine receptor 5A reviewed G-protein coupled receptor HTR5A EC50 '=' 79156 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01476 Stephania tetrandra Stephania tetrandra Medicinal Plant
BXGF01549 Sinomenium acutum Sinomenium acutum Medicinal Plant
BXGF01736 Cissampelos pareira Cissampelos pareira Medicinal Plant
BXGF02848 Buxus sempervirens Buxus sempervirens 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