Showing entry for octopinic acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0013619
Compound Nameoctopinic acid
Structure
FormulaC8H16N2O4
InchiKeyZQKXJZFWRBQTIO-RITPCOANSA-N
SMILESC[C@H](C(=O)O)N[C@H](C(=O)O)CCCN
InchiInChI=1S/C8H16N2O4/c1-5(7(11)12)10-6(8(13)14)3-2-4-9/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14)/t5-,6+/m1/s1
IUPAC(2S)-5-amino-2-[[(1R)-1-carboxyethyl]amino]pentanoic acid
Molecular Weight204.11
Pubchem Id13748388
Chembl Id
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 AQQ
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
P35120 BXGT009790 Nopaline-binding periplasmic protein reviewed nocT - - - 4400 -
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 n.a
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
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF06070 Perilla frutescens Perilla frutescens Medicinal Plant
BXGF06092 Schizonepeta tenuifolia Schizonepeta tenuifolia 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