Showing entry for Octopamine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0004763
Compound NameOctopamine
Structure
FormulaC8H11NO2
InchiKeyQHGUCRYDKWKLMG-UHFFFAOYSA-N
SMILESNCC(O)C1=CC=C(O)C=C1
InchiInChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2
IUPAC4-[(1R)-2-amino-1-hydroxyethyl]phenol
Molecular Weight153.18
Pubchem Id4581
Chembl IdCHEMBL53929
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 32764
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 BXGT006117 Coagulation factor XI reviewed Enzyme F11 - >50000 - -
CHEMBL CHEMBL53929
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
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 299 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 37933 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 7079 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 8436 nM
P25094 BXGT009014 Peripheral myelin protein 22 reviewed - Pmp22 Potency - 16136 nM
Q99549 BXGT019932 M-phase phosphoprotein 8 reviewed Epigenetic regulator MPHOSPH8 Potency - 37685 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 14125 nM
P22909 BXGT008818 Alpha-2A adrenergic receptor reviewed - Adra2a pD2 '=' 6 -
P19328 BXGT008473 Alpha-2B adrenergic receptor reviewed - Adra2b pD2 '=' 6 -
P22086 BXGT008728 Alpha-2C adrenergic receptor reviewed - Adra2c pD2 '=' 6 -
P43140 BXGT010360 Alpha-1A adrenergic receptor reviewed - Adra1a pD2 '=' 6 -
P23944 BXGT008930 Alpha-1D adrenergic receptor reviewed - Adra1d pD2 '=' 6 -
P15823 BXGT008160 Alpha-1B adrenergic receptor reviewed - Adra1b pD2 '=' 6 -
Q923Y9 BXGT019346 Trace amine-associated receptor 1 reviewed - Taar1 EC50 '=' 1300 nM
P22909 BXGT008818 Alpha-2A adrenergic receptor reviewed - Adra2a Ratio '=' 1 -
P19328 BXGT008473 Alpha-2B adrenergic receptor reviewed - Adra2b Ratio '=' 1 -
P22086 BXGT008728 Alpha-2C adrenergic receptor reviewed - Adra2c Ratio '=' 1 -
P43140 BXGT010360 Alpha-1A adrenergic receptor reviewed - Adra1a Ratio '=' 1 -
P23944 BXGT008930 Alpha-1D adrenergic receptor reviewed - Adra1d Ratio '=' 1 -
P15823 BXGT008160 Alpha-1B adrenergic receptor reviewed - Adra1b Ratio '=' 1 -
P46098 BXGT010507 5-hydroxytryptamine receptor 3A reviewed Ion channel HTR3A Activity - - -
Q7YWB7 BXGT017235 Octopamine receptor unreviewed - Pa Ka '=' 7 uM
P15289 BXGT008102 Arylsulfatase A reviewed Enzyme ARSA Potency - 26 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Potency - 20596 nM
P46098 BXGT010507 5-hydroxytryptamine receptor 3A reviewed Ion channel HTR3A EC50 '=' 24 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 36625 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 335 nM
Q7YWB7 BXGT017235 Octopamine receptor unreviewed - Pa Activity '=' 629 pmol/min
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00054 Lemon Citrus limon Fruits
BXGF00056 Mandarin orange (Clementine, Tangerine) Citrus reticulata Fruits
BXGF00057 Sweet orange Citrus sinensis Fruits
BXGF00393 Pepper (C. frutescens) Capsicum annuum var. annuum Vegetables
BXGF00871 Citrus unshiu Citrus unshiu Medicinal Plant
BXGF05819 Citrus aurantium Citrus aurantium 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