Showing entry for Lobaric Acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0040358
Compound NameLobaric Acid
Structure
FormulaC25H28O8
InchiKeyJHEWMLHQNRHTQX-UHFFFAOYSA-N
SMILESCCCCCc1c2Oc3cc(OC)cc(c3C(=O)Oc2cc(c1C(=O)O)O)C(=O)CCCC
InchiInChI=1S/C25H28O8/c1-4-6-8-9-15-21(24(28)29)18(27)13-20-23(15)32-19-12-14(31-3)11-16(17(26)10-7-5-2)22(19)25(30)33-20/h11-13,27H,4-10H2,1-3H3,(H,28,29)
IUPAC3-hydroxy-9-methoxy-6-oxo-7-pentanoyl-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
Molecular Weight456.18
Pubchem Id73157
Chembl IdCHEMBL551842
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 50294526
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 BXGT021651 SUMO-activating enzyme subunit 1 reviewed Enzyme SAE1 - 15270 - -
reviewed BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 - 724 - -
reviewed BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 - 1622 - -
reviewed BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed PTPN1 - 870 - -
reviewed BXGT020527 G-protein coupled receptor 35 reviewed G-protein coupled receptor GPR35 - - - 2390
reviewed BXGT020527 G-protein coupled receptor 35 reviewed G-protein coupled receptor GPR35 - - - 17600
reviewed BXGT020527 G-protein coupled receptor 35 reviewed G-protein coupled receptor GPR35 - 4540 - -
reviewed BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 400 - - -
reviewed BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 1250 - - -
CHEMBL CHEMBL551842
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
P11021 BXGT007644 Endoplasmic reticulum chaperone BiP reviewed - HSPA5 Potency - 15848 nM
Q14191 BXGT013452 Werner syndrome ATP-dependent helicase reviewed Enzyme WRN Potency - 50118 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 17782 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 28183 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 25118 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 7943 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 7943 nM
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 39810 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 IC50 '=' 1621 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Ki '=' 1250 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Activity - - -
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 44668 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 89125 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 79432 nM
P9WMR3 BXGT012397 Replicative DNA helicase reviewed - dnaB AC50 '=' 6473 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 50118 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency - 31622 nM
P29990 BXGT009390 Genome polyprotein reviewed - IC50 - 32190 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 28183 nM
Q9HC97 BXGT020527 G-protein coupled receptor 35 reviewed G-protein coupled receptor GPR35 Efficacy '=' 317 picometer
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 50118 nM
Q9HC97 BXGT020527 G-protein coupled receptor 35 reviewed G-protein coupled receptor GPR35 EC50 '=' 2390 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 50118 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency - 33807 nM
Q9UBT2 BXGT021663 SUMO-activating enzyme subunit 2 reviewed Enzyme UBA2 IC50 '=' 6520 nM
Q9UBE0 BXGT021651 SUMO-activating enzyme subunit 1 reviewed Enzyme SAE1 IC50 '=' 6520 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 2511 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 35481 nM
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG Activity - - -
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 10000 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 19952 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 25118 nM
Q9GZV3 BXGT020427 High affinity choline transporter 1 reviewed Transporter SLC5A7 IC50 - 10964 nM
Q9HC16 BXGT020525 DNA dC->dU-editing enzyme APOBEC-3G reviewed Enzyme APOBEC3G Potency - 25118 nM
Q6QLK5 BXGT016498 Envelope glycoprotein gp160 unreviewed - env IC50 '=' 13100 nM
Q9UBT2 BXGT021663 SUMO-activating enzyme subunit 2 reviewed Enzyme UBA2 IC50 '=' 15270 nM
Q9UBE0 BXGT021651 SUMO-activating enzyme subunit 1 reviewed Enzyme SAE1 IC50 '=' 15270 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 870 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 39810 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 79432 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency - 16944 nM
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 Potency - 26679 nM
P9WHJ3 BXGT012297 Protein RecA reviewed - recA EC50 '=' 4980 nM
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 50118 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 28183 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 79432 nM
Q9HC97 BXGT020527 G-protein coupled receptor 35 reviewed G-protein coupled receptor GPR35 Ratio '=' 2 -
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 7 %
P9WMR3 BXGT012397 Replicative DNA helicase reviewed - dnaB AC50 '=' 8717 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 39810 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 IC50 '=' 724 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Ki '=' 400 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 29092 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 800 nM
Q9HC97 BXGT020527 G-protein coupled receptor 35 reviewed G-protein coupled receptor GPR35 EC50 '=' 17600 nM
Q9HC97 BXGT020527 G-protein coupled receptor 35 reviewed G-protein coupled receptor GPR35 Activity - - -
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 79432 nM
O00206 BXGT003894 Toll-like receptor 4 reviewed - TLR4 Inhibition - - -
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 39810 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 18 %
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 21192 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 39810 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 56234 nM
O00206 BXGT003894 Toll-like receptor 4 reviewed - TLR4 Inhibition '=' 42 %
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 23109 nM
Q9HC97 BXGT020527 G-protein coupled receptor 35 reviewed G-protein coupled receptor GPR35 IC50 '=' 4540 nM
O00206 BXGT003894 Toll-like receptor 4 reviewed - TLR4 Inhibition '=' 29 %
O00206 BXGT003894 Toll-like receptor 4 reviewed - TLR4 Inhibition '=' 99 %
O00206 BXGT003894 Toll-like receptor 4 reviewed - TLR4 Inhibition '=' 78 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF04104 Helleborus niger Helleborus niger 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