Showing entry for Zein


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0009122
Compound NameZein
Structure
FormulaC7H7FO2S
InchiKeyYBYRMVIVWMBXKQ-UHFFFAOYSA-N
SMILESFS(=O)(=O)CC1=CC=CC=C1
InchiInChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
IUPACphenylmethanesulfonyl fluoride
Molecular Weight174.19
Pubchem Id4784
Chembl IdCHEMBL190503
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 PMF
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
P08684 BXGT006812 Cytochrome P450 3A4 reviewed CYP3A4 Enzyme - - 2650000 -
Binding DB 50171289
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 BXGT008951 Myeloblastin reviewed Enzyme PRTN3 - 19230 - -
reviewed BXGT006756 Neutrophil elastase reviewed Enzyme ELANE - 95219.3 - -
reviewed BXGT006756 Neutrophil elastase reviewed Enzyme ELANE - 52161.7 - -
reviewed BXGT003934 Fatty-acid amide hydrolase 1 reviewed FAAH - 13000 - -
reviewed BXGT012211 Fatty-acid amide hydrolase 1 reviewed Faah - 833 - -
CHEMBL CHEMBL190503
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
P08246 BXGT006756 Neutrophil elastase reviewed Enzyme ELANE IC50 '=' 95219 nM
P24158 BXGT008951 Myeloblastin reviewed Enzyme PRTN3 Inhibition '=' 20 %
P35030 BXGT009784 Trypsin-3 reviewed Enzyme PRSS3 IC50 '=' 110000 nM
P07478 BXGT006630 Trypsin-2 reviewed Enzyme PRSS2 IC50 '=' 110000 nM
P07477 BXGT006629 Trypsin-1 reviewed Enzyme PRSS1 IC50 '=' 110000 nM
P08246 BXGT006756 Neutrophil elastase reviewed Enzyme ELANE IC50 '=' 52161 nM
O00519 BXGT003934 Fatty-acid amide hydrolase 1 reviewed - FAAH IC50 '=' 13000 nM
P08246 BXGT006756 Neutrophil elastase reviewed Enzyme ELANE Inhibition '=' 20 %
P35030 BXGT009784 Trypsin-3 reviewed Enzyme PRSS3 Inhibition '=' 87 %
P07478 BXGT006630 Trypsin-2 reviewed Enzyme PRSS2 Inhibition '=' 87 %
P07477 BXGT006629 Trypsin-1 reviewed Enzyme PRSS1 Inhibition '=' 87 %
P97612 BXGT012211 Fatty-acid amide hydrolase 1 reviewed - Faah IC50 '=' 833 nM
Q9Y4D2 BXGT022274 Sn1-specific diacylglycerol lipase alpha reviewed - DAGLA Inhibition '=' 19 %
P23141 BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 Activity - - -
P24158 BXGT008951 Myeloblastin reviewed Enzyme PRTN3 IC50 '=' 19230 nM
Q9Y4D2 BXGT022274 Sn1-specific diacylglycerol lipase alpha reviewed - DAGLA Inhibition '=' 8 %
P97612 BXGT012211 Fatty-acid amide hydrolase 1 reviewed - Faah Inhibition '=' 100 %
P35030 BXGT009784 Trypsin-3 reviewed Enzyme PRSS3 Ki '=' 10010 nM
P07478 BXGT006630 Trypsin-2 reviewed Enzyme PRSS2 Ki '=' 10010 nM
P07477 BXGT006629 Trypsin-1 reviewed Enzyme PRSS1 Ki '=' 10010 nM
Q6WQJ1 BXGT016594 Sn1-specific diacylglycerol lipase alpha reviewed - Dagla Inhibition - - -
Q99685 BXGT019948 Monoglyceride lipase reviewed Enzyme MGLL Inhibition '=' 5 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00205 Corn Zea mays Cereals and cereal products
BXGF00810 Cereals and cereal products Cereals and cereal products
BXGF05739 Ixora coccinea Ixora coccinea 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