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SMILES: CNC1=N[C@H]2[C@H](O[C@H](CNC3CC3)[C@@H](O)[C@@H]2O)S1

InChI Key: InChIKey=FIJITGJHRWNSJW-VVULQXIFSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267944   
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
4-hydroxy-2-oxoglutarate aldolase, mitochondrial


(Homo sapiens (Human))		BDBM267944
PNG
((3aR,5R,6S,7R,7aR)-5- ((cyclopropylamino)methyl)-2...)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CNC3CC3)[C@@H](O)[C@@H]2O)S1 |r,t:2|
Show InChI InChI=1S/C11H19N3O3S/c1-12-11-14-7-9(16)8(15)6(17-10(7)18-11)4-13-5-2-3-5/h5-10,13,15-16H,2-4H2,1H3,(H,12,14)/t6-,7-,8-,9-,10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 1.30 -12.1n/an/an/an/an/a7.025



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

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