Showing entry for Actinodaphnine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0042046
Compound NameActinodaphnine
Structure
FormulaC18H17NO4
InchiKeyVYJUHRAQPIBWNV-GFCCVEGCSA-N
SMILESCOc1cc2c(cc1O)C[C@@H]1c3c2c2OCOc2cc3CCN1
InchiInChI=1S/C18H17NO4/c1-21-14-7-11-10(5-13(14)20)4-12-16-9(2-3-19-12)6-15-18(17(11)16)23-8-22-15/h5-7,12,19-20H,2-4,8H2,1H3/t12-/m1/s1
IUPAC
Molecular Weight311.12
Pubchem Id11957301
Chembl IdCHEMBL1588263
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 50136
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 BXGT012942 Induced myeloid leukemia cell differentiation protein Mcl-1 reviewed Signaling MCL1 - 5612.198085 - -
reviewed BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B - - - 16290
CHEMBL CHEMBL1588263
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
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 39810 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18356 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 35481 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 8891 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 50118 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 10000 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 35481 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 10000 nM
Q9Y468 BXGT022270 Lethal(3)malignant brain tumor-like protein 1 reviewed Epigenetic regulator L3MBTL1 Potency '=' 35481 nM
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 35481 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 11220 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 22387 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 56 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 14125 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 22387 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 23109 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 22387 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 15848 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 17782 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 14125 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 22387 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 18356 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 35481 nM
Q07820 BXGT012942 Induced myeloid leukemia cell differentiation protein Mcl-1 reviewed Signaling MCL1 IC50 '=' 5612 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 14125 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 89125 nM
Q14191 BXGT013452 Werner syndrome ATP-dependent helicase reviewed Enzyme WRN Potency - 19952 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 19952 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 631 nM
P17405 BXGT008304 Sphingomyelin phosphodiesterase reviewed Enzyme SMPD1 Potency - 39810 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 25118 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 25118 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 56234 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 10000 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 14581 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 7079 nM
P11021 BXGT007644 Endoplasmic reticulum chaperone BiP reviewed - HSPA5 Potency - 50118 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00097 Sweet bay Laurus nobilis Herbs and Spices
BXGF05626 Annona glabra Annona glabra 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