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BDBM85447 Epoxy analogue, I(a)

InChI string: InChI=1S/C5H9NO3/c6-4(5(7)8)1-3-2-9-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1

SMILES: N[C@@H](C[C@H]1CO1)C(O)=O

InChI Key: InChIKey=HKPCHCJYQVJLIZ-IMJSIDKUSA-N

Data: 1 KI  1 IC50

PDB links: 2 PDB IDs match 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 = 85447   
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
S-Adenosylmethionine Synthase (AdoMet)


(Rattus norvegicus)
BDBM85447
PNG
(Epoxy analogue, I(a))
Show SMILES N[C@@H](C[C@H]1CO1)C(O)=O
Show InChI InChI=1S/C5H9NO3/c6-4(5(7)8)1-3-2-9-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
PubMed
7.00E+3 -7.31 5.00E+4n/an/an/an/a7.537



Laboratoire de chimie bioorganique



Assay Description
AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...


J Enzym Inhib 13: 361-7 (1998)

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