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BDBM267937 (3aR,5R,6S,7R,7aR)-2-(ethylamino)- 5-((isopropylamino)methyl)-5,6,7,7a- tetrahydro-3aH-pyrano[3,2-d]thiazole- 6,7-diol::US9718854, 18

SMILES: CCNC1=N[C@H]2[C@H](O[C@H](CNC(C)C)[C@@H](O)[C@@H]2O)S1

InChI Key: InChIKey=HOSBLXQYHMNPNX-ISUQUUIWSA-N

Data: 1 KI

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 = 267937   
Target/Host
(Institution)
LigandTarget/Host
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
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens (Human))
BDBM267937
PNG
((3aR,5R,6S,7R,7aR)-2-(ethylamino)- 5-((isopropylam...)
Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](CNC(C)C)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C12H23N3O3S/c1-4-13-12-15-8-10(17)9(16)7(5-14-6(2)3)18-11(8)19-12/h6-11,14,16-17H,4-5H2,1-3H3,(H,13,15)/t7-,8-,9-,10-,11-/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
5.40 -11.3n/an/an/an/an/a7.025



Alectos Therapeutics Inc

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


US Patent US9718854 (2017)


BindingDB Entry DOI: 10.7270/Q2CJ8GH3
More data for this
Ligand-Target Pair