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BDBM92471 Sinefungin

SMILES: NC(CCC(N)C(O)=O)CC1OC(C(O)C1O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=LMXOHSDXUQEUSF-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 66 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 2 hits for monomerid = 92471   
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
Phosphoehtnaolamine Methyltransferases 2 (PMT2)


(Caenorhabditis elegans)
BDBM92471
PNG
(Sinefungin)
Show SMILES NC(CCC(N)C(O)=O)CC1OC(C(O)C1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 9.15E+4n/an/an/an/a8.025



Washington University



Assay Description
A radiochemical assay was used to measure enzymatic activity.


J Biol Chem 286: 38060-8 (2011)

More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1)


(Caenorhabditis elegans)
BDBM92471
PNG
(Sinefungin)
Show SMILES NC(CCC(N)C(O)=O)CC1OC(C(O)C1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 3.38E+4n/an/an/an/a8.025



Washington University



Assay Description
A radiochemical assay was used to measure enzymatic activity.


J Biol Chem 286: 38060-8 (2011)

More data for this
Ligand-Target Pair