BDBM5246 (3R,4R,5S)-5-amino-3-{[(2R)-1-carboxybutan-2-yl]oxy}-4-acetamidocyclohex-1-ene-1-carboxylic acid::carbocyclic analog 17

SMILES: [H][C@@](CC)(CC(O)=O)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O

InChI Key: InChIKey=KYFVIKVFRPMLPH-LSCVPOLPSA-N

Data: 1 IC50

PDB links: 6 PDB IDs contain inhibitors having a similarity of 90% to 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 1 hit for monomerid = 5246   

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/Puerto Rico/8/34/Mount Sinai(...)	BDBM5246 ((3R,4R,5S)-5-amino-3-{[(2R)-1-carboxybutan-2-yl]ox...) Show SMILES [H][C@@](CC)(CC(O)=O)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10| Show InChI InChI=1S/C14H22N2O6/c1-3-9(6-12(18)19)22-11-5-8(14(20)21)4-10(15)13(11)16-7(2)17/h5,9-11,13H,3-4,6,15H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/t9-,10+,11-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	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 9: 2811-4 (1999) Article DOI: 10.1016/s0960-894x(99)00479-5 BindingDB Entry DOI: 10.7270/Q26H4FMM
					More data for this Ligand-Target Pair