Showing entry for Dopa


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0020654
Compound NameDopa
Structure
FormulaC9H11NO4
InchiKeyWTDRDQBEARUVNC-UHFFFAOYSA-N
SMILESOC(=O)C(Cc1ccc(c(c1)O)O)N
InchiInChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)
IUPAC2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
Molecular Weight197.07
Pubchem Id836
Chembl IdCHEMBL351042
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 4377
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 BXGT005575 Epidermal growth factor receptor reviewed Kinase EGFR - 900000 - -
reviewed BXGT008707 D(4) dopamine receptor reviewed G-protein coupled receptor DRD4 >10000 - - -
reviewed BXGT008059 5-hydroxytryptamine receptor 2A reviewed Htr2a >10000 - - -
reviewed BXGT006838 5-hydroxytryptamine receptor 2C reviewed Htr2c >10000 - - -
reviewed BXGT008938 5-hydroxytryptamine receptor 3A reviewed Htr3a >10000 - - -
reviewed BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 >10000 - - -
reviewed BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 >10000 - - -
CHEMBL CHEMBL351042
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
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 158 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 17782 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 125 nM
P18054 BXGT008370 Arachidonate 12-lipoxygenase, 12S-type reviewed Enzyme ALOX12 Potency '=' 39810 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 12589 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 2511 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 25118 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 14125 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 3981 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 12589 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 891 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 891 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 1122 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 1122 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 2909 nM
P55210 BXGT011110 Caspase-7 reviewed Enzyme CASP7 Potency '=' 15848 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 8912 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 25118 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 11220 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 11220 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 11220 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 15811 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 28183 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 28183 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency '=' 158 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 3662 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 17782 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 281 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00142 Purslane Portulaca oleracea Herbs and Spices
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