Showing entry for dicentrine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0021666
Compound Namedicentrine
Structure
FormulaC20H21NO4
InchiKeyYJWBWQWUHVXPNC-CQSZACIVSA-N
SMILESCOc1cc2c(cc1OC)C[C@@H]1c3c2c2OCOc2cc3CCN1C
InchiInChI=1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m1/s1
IUPAC
Molecular Weight339.15
Pubchem Id317843
Chembl IdCHEMBL478754
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 70841
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 BXGT005384 Tyrosyl-DNA phosphodiesterase 2 reviewed TDP2 - 7828 - -
CHEMBL CHEMBL478754
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
P9WMR3 BXGT012397 Replicative DNA helicase reviewed - dnaB AC50 '=' 26710 nM
Q14191 BXGT013452 Werner syndrome ATP-dependent helicase reviewed Enzyme WRN Potency - 56234 nM
P9WMR3 BXGT012397 Replicative DNA helicase reviewed - dnaB AC50 '=' 50810 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 20596 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 4466 nM
P9WHJ3 BXGT012297 Protein RecA reviewed - recA EC50 '=' 952 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 56234 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 79432 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 32642 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 50118 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 31622 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 11220 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 4610 nM
Q63470 BXGT016073 Dual specificity tyrosine-phosphorylation-regulated kinase 1A reviewed - Dyrk1a AC50 '=' 2087 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 16360 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 29092 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 15848 nM
O95551 BXGT005384 Tyrosyl-DNA phosphodiesterase 2 reviewed - TDP2 IC50 '=' 7828 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 22387 nM
P43351 BXGT010380 DNA repair protein RAD52 homolog reviewed Nucleic acid binding RAD52 AC50 '=' 1180 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 500 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 2818 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 35481 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 4109 nM
P55212 BXGT011112 Caspase-6 reviewed Enzyme CASP6 AC50 '=' 5630 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 70794 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 70794 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 2511 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 12589 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 31622 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 33807 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
BXGF03407 Stephania pierrei Stephania pierrei 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