BDBM36435 (3R,4S)-1-[(9-Deaza-adenin-9-yl)methyl]-4-ethylthio-methyl-3-hydroxypyrrolidine, 8::CID11404039::DADMe-ImmA-Et
SMILES: CCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
InChI Key: InChIKey=OVKULNJFRTYROJ-MNOVXSKESA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Methylthioadenosine Nucleosidase(MTAN) (Escherichia coli (strain K12)) | BDBM36435 ((3R,4S)-1-[(9-Deaza-adenin-9-yl)methyl]-4-ethylthi...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0700 | -13.8 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine | Assay Description Purified MTAN activity in MTAN enzyme inhibition assay | Nat Chem Biol 5: 251-7 (2009) Article DOI: 10.1038/nchembio.153 BindingDB Entry DOI: 10.7270/Q28C9TM9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Methylthioadenosine Nucleosidase (MTAN) (Helicobacter pylori) | BDBM36435 ((3R,4S)-1-[(9-Deaza-adenin-9-yl)methyl]-4-ethylthi...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 0.515 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine | Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. | ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Methylthioadenosine Nucleosidase (MTAN) (Klebsiella pneumoniae) | BDBM36435 ((3R,4S)-1-[(9-Deaza-adenin-9-yl)methyl]-4-ethylthi...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine | Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. | ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Methylthioadenosine Nucleosidase(MTAN) (Escherichia coli (strain K12)) | BDBM36435 ((3R,4S)-1-[(9-Deaza-adenin-9-yl)methyl]-4-ethylthi...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 0.000950 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine | Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. | ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Methylthioadenosine Nucleosidase (MTAN) (Streptococcus pneumoniae) | BDBM36435 ((3R,4S)-1-[(9-Deaza-adenin-9-yl)methyl]-4-ethylthi...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 10 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine | Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. | ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Methylthioadenosine Nucleosidase (MTAN) (Neisseria meningitidis) | BDBM36435 ((3R,4S)-1-[(9-Deaza-adenin-9-yl)methyl]-4-ethylthi...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 0.0460 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine | Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. | ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Methylthioadenosine Nucleosidase (MTAN) (Staphylococcus aureus) | BDBM36435 ((3R,4S)-1-[(9-Deaza-adenin-9-yl)methyl]-4-ethylthi...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine | Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. | ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W | |||||||||||
More data for this Ligand-Target Pair |