EC Number |
Inhibitors |
Structure |
---|
3.4.21.83 | (2R)-2-amino-N-[4-(dimethylaminomethyl)phenyl]propanamide |
ZINC 37042497, shows the lowest estimated binding energy by AutoDock program. The selected docking pose is also located close to the catalytic site and interacts through hydrogen bonds with Glu539, Ser614, Arg704, Glu659, and Phe641 residues. As the compound is protonated, it also makes ionic interactions with Glu539 and Glu659. Besides, it also performs hydrophobic contacts with Tyr537, Phe641, Leu655, and Ala615; ZINC 37042497, the compound shows hydrogen bonds with Arg655 and Glu612 residues, and it also forms an ionic interaction with Glu612 and hydrophobic contacts with Leu608, Tyr490, Ala569, and Val656 |
|
3.4.21.83 | (3R)-3-amino-N-[3-(1H-tetrazol-5-yl)phenyl]butanamide |
ZINC 37608688, located close to the catalytic site. It interacts through hydrogen bonds with Glu612, Pro607, Arg655 and Tyr490, and hydrophobic interactions with His688 and Arg655; ZINC 37608688, the compound forms hydrogen bonds with Tyr537, Pro654, Glu659 and Arg704. Moreover, compound 3 participates on hydrophobic interactions with Ala615, Phe641, Leu653, and Val705 |
|
3.4.21.83 | 1-(5-hydroxy-pyridine-3-carbonyl)-pyrrolidine-2-carboxylic acid |
ZINC 19735155; ZINC 19735155, interacts with the binding site through hydrogen bonds with Ser568 and Glu612, Pi-stacking with Tyr490, and salt bridges with Glu612 and Arg567 |
|
3.4.21.83 | 3,4-dichloroisocoumarin |
irreversible inhibition |
|
3.4.21.83 | 3,4-dichloroisocoumarin |
irreversible |
|
3.4.21.83 | 3,4-dichloroisocoumarin |
non-peptide irreversible serine-peptidase inhibitor |
|
3.4.21.83 | 4-(2-aminoethyl)benzenesulfonyl fluoride |
irreversible inhibition |
|
3.4.21.83 | 4-(2-aminoethyl)benzenesulfonyl fluoride |
irreversible |
|
3.4.21.83 | 4-(2-aminoethyl)benzenesulfonyl fluoride |
OpdB activity toward tert-butoxycarbonyl-L-Val-L-Leu-L-Lys-7-amido-4-methylcoumarin hydrolysis is inhibited completely by 4 mM pefbloc SC |
|
3.4.21.83 | 4-(2-aminoethyl)benzenesulfonylfluoride |
non-peptide irreversible serine-peptidase inhibitor |
|