Reaction Details Report a problem with these data
Target
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
Ligand
BDBM50136906
Substrate
n/a
Meas. Tech.
ChEMBL_103130 (CHEMBL712301)
Ki
2200±n/a nM
Citation
 Li, X; Chu, S; Feher, VA; Khalili, M; Nie, Z; Margosiak, S; Nikulin, V; Levin, J; Sprankle, KG; Tedder, ME; Almassy, R; Appelt, K; Yager, KM Structure-based design, synthesis, and antimicrobial activity of indazole-derived SAH/MTA nucleosidase inhibitors. J Med Chem 46:5663-73 (2003) [PubMed]  Article 
Target
Name:
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
Synonyms:
5 -methylthioadenosine nucleosidase | 5'-methylthioadenosine nucleosidase | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (MTAN) | MTA/SAH nucleosidase | MTAN | MTNN_ECOLI | Methylthioadenosine Nucleosidase(MTAN) | P46 | S-adenosylhomocysteine nucleosidase | mtn | mtnN | pfs | yadA
Type:
Enzyme
Mol. Mass.:
24347.14
Organism:
Escherichia coli (strain K12)
Description:
P0AF12
Residue:
232
Sequence:
MKIGIIGAMEEEVTLLRDKIENRQTISLGGCEIYTGQLNGTEVALLKSGIGKVAAALGATLLLEHCKPDVIINTGSAGGLAPTLKVGDIVVSDEARYHDADVTAFGYEYGQLPGCPAGFKADDKLIAAAEACIAELNLNAVRGLIVSGDAFINGSVGLAKIRHNFPQAIAVEMEATAIAHVCHNFNVPFVVVRAISDVADQQSHLSFDEFLAVAAKQSSLMVESLVQKLAHG
  
Inhibitor
Name:
BDBM50136906
Synonyms:
4-Chloro-N-[3-chloro-7-(3-methyl-but-2-enylamino)-1H-indazol-5-yl]-benzenesulfonamide | CHEMBL356233
Type:
Small organic molecule
Emp. Form.:
C18H18Cl2N4O2S
Mol. Mass.:
425.332
SMILES:
CC(C)=CCNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12 |(1.06,-.29,;2.39,.47,;2.39,2.01,;3.72,-.29,;5.05,.48,;6.39,-.29,;6.4,-1.83,;5.07,-2.6,;5.07,-4.15,;3.74,-4.92,;3.74,-6.46,;2.2,-6.46,;5.28,-6.46,;3.74,-8,;2.41,-8.77,;2.41,-10.31,;3.74,-11.08,;3.74,-12.62,;5.09,-10.31,;5.09,-8.77,;6.4,-4.91,;7.75,-4.14,;9.2,-4.6,;9.97,-5.93,;10.11,-3.37,;9.2,-2.11,;7.75,-2.6,)|
Structure:
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