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BDBM17863 Amino-Alcohol Inhibitor, 12::methyl 2-[(2S)-2-[(2S,3R)-3-amino-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanamido]propanamido]acetate

SMILES: COC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](O)[C@H](N)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=KTNRONBAQGRLNO-ZUZSOPCKNA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 17863   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM17863
PNG
(Amino-Alcohol Inhibitor, 12 | methyl 2-[(2S)-2-[(2...)
Show SMILES COC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](O)[C@H](N)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C16H20F3N3O5/c1-8(14(25)21-7-11(23)27-2)22-15(26)13(24)12(20)9-3-5-10(6-4-9)16(17,18)19/h3-6,8,12-13,24H,7,20H2,1-2H3,(H,21,25)(H,22,26)/t8-,12+,13-/s2
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 1.70E+3n/an/an/an/a7.530



The Procter & Gamble Pharmaceuticals



Assay Description
The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)