Showing entry for 5-Hydroxyindole-3-acetic acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0000895
Compound Name5-Hydroxyindole-3-acetic acid
Structure
FormulaC10H9NO3
InchiKeyDUUGKQCEGZLZNO-UHFFFAOYSA-N
SMILESOC(=O)CC1=CNC2=CC=C(O)C=C12
InchiInChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)
IUPAC2-(5-hydroxy-1H-indol-3-yl)acetic acid
Molecular Weight191.18
Pubchem Id1826
Chembl IdCHEMBL395915
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 HID
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
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed PPARG Nuclear receptor - - - -
Binding DB n.a
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
CHEMBL CHEMBL395915
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
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 23778 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 - - -
Q99549 BXGT019932 M-phase phosphoprotein 8 reviewed Epigenetic regulator MPHOSPH8 Potency - 26679 nM
Q01453 BXGT012588 Peripheral myelin protein 22 reviewed Cellular structure PMP22 Potency '=' 42561 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 50118 nM
P06280 BXGT006433 Alpha-galactosidase A reviewed - GLA Potency '=' 12589 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 501 nM
A3EZJ3 BXGT001154 Genome polyprotein unreviewed - NS3 IC50 - 69300 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 22387 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 7079 nM
P0A6C1 BXGT007045 Endonuclease 4 reviewed - nfo Potency '=' 2238 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Potency '=' 39810 nM
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 Potency '=' 5623 nM
Q9R1U7 BXGT021423 Solute carrier family 22 member 8 reviewed - Slc22a8 Activity '=' 18 %
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 21192 nM
P02768 BXGT005955 Serum albumin reviewed Transporter ALB logKA '=' 0 -
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 50118 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 18356 nM
Q6W5P4 BXGT016588 Neuropeptide S receptor reviewed - NPSR1 Potency '=' 3162 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 3162 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 35481 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 10621 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 - - -
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 39810 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 21192 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 25929 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 - - -
O88909 BXGT005288 Solute carrier family 22 member 8 reviewed - Slc22a8 Activity '=' 21 %
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 - - -
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 29934 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 11220 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 35481 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 - - -
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 158 nM
Q13304 BXGT013337 Uracil nucleotide/cysteinyl leukotriene receptor reviewed G-protein coupled receptor GPR17 IC50 '>' 30000 nM
Q13304 BXGT013337 Uracil nucleotide/cysteinyl leukotriene receptor reviewed G-protein coupled receptor GPR17 Inhibition '=' 7 %
Q13304 BXGT013337 Uracil nucleotide/cysteinyl leukotriene receptor reviewed G-protein coupled receptor GPR17 Activity '=' 1 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00088 Barley Hordeum vulgare Cereals and cereal products
BXGF00173 Garden tomato (var.) Solanum lycopersicum var. lycopersicum Vegetables
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