Showing entry for epiberberine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0026607
Compound Nameepiberberine
Structure
FormulaC20H18NO4
InchiKeyFPJQGFLUORYYPE-UHFFFAOYSA-N
SMILESCOc1cc2c(cc1OC)CC[n+]1c2cc2ccc3c(c2c1)OCO3
InchiInChI=1S/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
IUPAC
Molecular Weight336.12
Pubchem Id160876
Chembl IdCHEMBL1197637
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 50986
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 BXGT013801 Glycoprotein 42 reviewed BZLF2 - 1720 - -
reviewed BXGT011514 SUMO-conjugating enzyme UBC9 reviewed UBE2I - 4170 - -
reviewed BXGT021651 SUMO-activating enzyme subunit 1 reviewed Enzyme SAE1 - 8680 - -
CHEMBL CHEMBL1197637
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
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 31622 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18356 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 39810 nM
Q99816 BXGT019966 Tumor susceptibility gene 101 protein reviewed Enzyme TSG101 Potency - 12981 nM
Q9UBT2 BXGT021663 SUMO-activating enzyme subunit 2 reviewed Enzyme UBA2 IC50 '=' 4170 nM
Q9UBE0 BXGT021651 SUMO-activating enzyme subunit 1 reviewed Enzyme SAE1 IC50 '=' 4170 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 16944 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 15848 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 326 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 19952 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 1990 nM
Q9UBT2 BXGT021663 SUMO-activating enzyme subunit 2 reviewed Enzyme UBA2 IC50 '=' 8680 nM
Q9UBE0 BXGT021651 SUMO-activating enzyme subunit 1 reviewed Enzyme SAE1 IC50 '=' 8680 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 10000 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 112201 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 14125 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 28183 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 28183 nM
Q6W5P4 BXGT016588 Neuropeptide S receptor reviewed - NPSR1 Potency '=' 12589 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 10000 nM
Q8IUX4 BXGT018337 DNA dC->dU-editing enzyme APOBEC-3F reviewed Enzyme APOBEC3F Potency - 35481 nM
Q99816 BXGT019966 Tumor susceptibility gene 101 protein reviewed Enzyme TSG101 Potency - 56234 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 70794 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 63095 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 63095 nM
P62826 BXGT011463 GTP-binding nuclear protein Ran reviewed Enzyme modulator RAN Potency - 63095 nM
O40947 BXGT004554 ORF 73 unreviewed - AC50 '=' 20451 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 39810 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 39810 nM
P80244 BXGT011887 ATP-dependent Clp protease proteolytic subunit reviewed - clpP Potency - 39810 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 19952 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 14125 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 19952 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 25118 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 35481 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 50118 nM
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 Potency - 8436 nM
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 125892 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01696 Coptis japonica Coptis japonica Medicinal Plant
BXGF01731 Corydalis turtschaninovii Corydalis turtschaninovii Human Edible Plant
BXGF03427 Phellodendron chinense Phellodendron chinense Medicinal Plant
BXGF03498 Coptis deltoidea Coptis deltoidea Medicinal Plant
BXGF03640 Fibraurea recisa Fibraurea recisa Medicinal Plant
BXGF03828 Phellodendron amurense Phellodendron amurense Medicinal Plant
BXGF04006 Corydalis ternata Corydalis ternata Others
BXGF04256 Phellodendron chinese Phellodendron chinese Others
BXGF04647 Nandina domestica Nandina domestica Medicinal Plant
BXGF04784 Coptis teeta Coptis teeta Medicinal Plant
BXGF05506 Coptis chinensis Coptis chinensis Medicinal Plant
BXGF05761 Berberis floribunda Berberis floribunda Medicinal Plant
BXGF05994 Corydalis yanhusuo Corydalis yanhusuo 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