BDBM4934 (2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid::GG167::Zanamivir
SMILES: [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8]
InChI Key: InChIKey=ARAIBEBZBOPLMB-UFGQHTETSA-N
PDB links: 24 PDB IDs match this monomer. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neuraminidase A (Influenza A virus (A/Shangdong/9/93(H3N2))) | BDBM4934 ((2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[(1R,2R...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article | 1 | -12.8 | 5 | n/a | n/a | n/a | n/a | 6.5 | 37 |
Gilead Sciences Inc. | Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura... | Bioorg Med Chem Lett 7: 1837-42 (1997) Article DOI: 10.1016/S0960-894X(97)00333-8 BindingDB Entry DOI: 10.7270/Q2FX77MK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase A (NanA) (Streptococcus pneumoniae) | BDBM4934 ((2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[(1R,2R...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 7.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a | 9.0 | n/a |
Università degli Studi di Siena | Assay Description Briefly, the reaction mixtures containing the substrates and up to 100 nM sialidase were incubated at 37°C and stopped by the addition of 0.5 M Na2CO... | BMC Biochem 13: 19 (2012) Article DOI: 10.1186/1471-2091-13-19 BindingDB Entry DOI: 10.7270/Q2959GDQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Neuraminidase B (Influenza B virus (B/Victoria/70)) | BDBM4934 ((2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[(1R,2R...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 17 | n/a | n/a | n/a | n/a | 6.5 | 37 |
BioCryst Pharmaceuticals, Inc. | Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura... | J Med Chem 44: 4379-92 (2001) Article DOI: 10.1021/jm010277p BindingDB Entry DOI: 10.7270/Q2GX48RZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase B (Influenza B virus) | BDBM4934 ((2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[(1R,2R...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | 6.5 | 37 |
Glaxo Wellcome Research and Development Limited | Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura... | J Med Chem 41: 787-97 (1998) Article DOI: 10.1021/jm970374b BindingDB Entry DOI: 10.7270/Q2RF5S7G | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Neuraminidase A (Influenza A virus (A/Singapore/1/57(H2N2))) | BDBM4934 ((2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[(1R,2R...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | 6.5 | 37 |
Glaxo Wellcome Research and Development Limited | Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura... | J Med Chem 41: 787-97 (1998) Article DOI: 10.1021/jm970374b BindingDB Entry DOI: 10.7270/Q2RF5S7G | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Neuraminidase A (Influenza A virus (A/Singapore/1/57(H2N2))) | BDBM4934 ((2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[(1R,2R...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | 6.5 | 37 |
BioCryst Pharmaceuticals, Inc. | Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura... | J Med Chem 44: 4379-92 (2001) Article DOI: 10.1021/jm010277p BindingDB Entry DOI: 10.7270/Q2GX48RZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |