Showing entry for PRENYLAGARAMIDE A


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0032020
Compound NamePRENYLAGARAMIDE A
Structure
FormulaC54H68N10O14
InchiKeyLXDPLRBOMKUKGF-DEOTVAGQSA-N
SMILESOC(=N)C[C@@H]1N=C(O)[C@H](Cc2ccccc2)N=C(O)[C@H](Cc2ccccc2)N=C(O)[C@H](CCC(=O)O)N=C(O)CN=C([C@@H](N=C(CN=C([C@@H](N=C([C@H]2N(C1=O)CCC2)O)Cc1ccc(cc1)OCC=C(C)C)O)O)[C@H](O)C)O
InchiInChI=1S/C54H68N10O14/c1-31(2)22-24-78-36-18-16-35(17-19-36)27-38-48(71)56-30-45(68)63-47(32(3)65)53(76)57-29-44(67)58-37(20-21-46(69)70)49(72)59-39(25-33-11-6-4-7-12-33)50(73)60-40(26-34-13-8-5-9-14-34)51(74)62-41(28-43(55)66)54(77)64-23-10-15-42(64)52(7
IUPAC3-[(3S,6S,9S,12S,18S,24S,27S)-3-(2-amino-2-oxoethyl)-6,9-dibenzyl-18-[(1R)-1-hydroxyethyl]-24-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-2,5,8,11,14,17,20,23,26-nonaoxo-1,4,7,10,13,16,19,22,25-nonazabicyclo[25.3.0]triacontan-12-yl]propanoic acid
Molecular Weight1080.49
Pubchem Id10748669
Chembl IdCHEMBL507696
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 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 CHEMBL507696
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
P28838 BXGT009295 Cytosol aminopeptidase reviewed Enzyme LAP3 Activity - - -
P00734 BXGT005630 Prothrombin reviewed Enzyme F2 Activity - - -
P00784 BXGT005655 Papain reviewed - Activity - - -
P00747 BXGT005639 Plasminogen reviewed Enzyme PLG Activity - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01315 Ipomoea purpurea Ipomoea purpurea Medicinal Plant
BXGF02356 Elsholtzia bodinieri Elsholtzia bodinieri 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