BDBM360947 (3R,3aR, 6S,6aR)-6-(4-(2- aminobenzo[d] thiazol-4-yl)-2- sulfamoyl-3-(1H- tetrazol-5-yl)phenyl- sulfonamido) hexahydrofuro[3,2- b]furan-3-aminium 2,2,2- trifluoroacetate::US10221163, Example 103::US10544130, Example 103
SMILES: N[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
InChI Key:
Data: 6 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Metallo-beta-lactamase type 2 (Serratia marcescens) | BDBM360947![]() ((3R,3aR, 6S,6aR)-6-(4-(2- aminobenzo[d] thiazol-4-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.226 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp. US Patent | Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ... | US Patent US10221163 (2019) BindingDB Entry DOI: 10.7270/Q2RX9FB1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase NDM-1 (Klebsiella pneumoniae) | BDBM360947![]() ((3R,3aR, 6S,6aR)-6-(4-(2- aminobenzo[d] thiazol-4-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.0290 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp. US Patent | Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ... | US Patent US10221163 (2019) BindingDB Entry DOI: 10.7270/Q2RX9FB1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase () | BDBM360947![]() ((3R,3aR, 6S,6aR)-6-(4-(2- aminobenzo[d] thiazol-4-...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.196 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp. US Patent | US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metallo-beta-lactamase type 2 (Serratia marcescens) | BDBM360947![]() ((3R,3aR, 6S,6aR)-6-(4-(2- aminobenzo[d] thiazol-4-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.226 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp. US Patent | Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ... | US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase NDM-1 (Klebsiella pneumoniae) | BDBM360947![]() ((3R,3aR, 6S,6aR)-6-(4-(2- aminobenzo[d] thiazol-4-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.0290 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp. US Patent | US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase VIM-1 (Klebsiella pneumoniae) | BDBM360947![]() ((3R,3aR, 6S,6aR)-6-(4-(2- aminobenzo[d] thiazol-4-...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.196 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp. US Patent | Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ... | US Patent US10221163 (2019) BindingDB Entry DOI: 10.7270/Q2RX9FB1 | |||||||||||
More data for this Ligand-Target Pair |