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Results 1 - 10 of 38 > >>
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EC Number Inhibitors Commentary Structure
Show all pathways known for 2.3.1.129Display the word mapDisplay the reaction diagram Show all sequences 2.3.1.129(3aR,10aR,13aR,20aR)-2,12-dimethyldecahydro-1H,10aH-[1,4,7,10,13,16]hexaoxacyclooctadecino[11,12-c:2,3-c']dipyrrole-1,3,11,13(2H,12H,13aH)-tetrone compound identified using a complex-based pharmacophore model. Compound shows selective inhibition properties with essential residues in the pocket. The compound complies with the Lipinski rule showing no toxicity and drug likeness properties Go to the Ligand Summary Page
Show all pathways known for 2.3.1.129Display the word mapDisplay the reaction diagram Show all sequences 2.3.1.129(3Z,5Z,7S,8S,9S,11Z,13E,15S,16S)-16-[(2R,3S,4R,6E,8S,9S)-3,9-dihydroxy-4,8-dimethyl-5-oxodec-6-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one compound identified using a complex-based pharmacophore model. Compound shows selective inhibition properties with essential residues in the pocket. The compound complies with the Lipinski rule showing no toxicity and drug likeness properties Go to the Ligand Summary Page
Show all pathways known for 2.3.1.129Display the word mapDisplay the reaction diagram Show all sequences 2.3.1.1291-benzoyl-2-(1H-indol-3-ylmethyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-3-piperidinol binding energy score of 4.01. In docked pose, the pyrrolidine ring of the molecule is positioned along H120 of chain A and the indole ring is placed towards chain E. It forms hydrogen bonds with H120 (NE atom) and Q156 (OE1 atom), G139 (N backbone) from chain A and G150 (N backbone) of chain E Go to the Ligand Summary Page
Show all pathways known for 2.3.1.129Display the word mapDisplay the reaction diagram Show all sequences 2.3.1.1292-[[2-[(benzenesulfonyl)oxy]ethyl](phenyl)amino]ethyl 4-methylbenzene-1-sulfonate compound identified using a complex-based pharmacophore model. Compound shows selective inhibition properties with essential residues in the pocket. The compound complies with the Lipinski rule showing no toxicity and drug likeness properties Go to the Ligand Summary Page
Show all pathways known for 2.3.1.129Display the word mapDisplay the reaction diagram Show all sequences 2.3.1.1293-((3-(((3,4-dichlorophenoxy)acetyl)amino)-15-pyridin-1-yl)methyl)benzenesulfonyl fluoride binding energy score of 4.4. The dichlorophenoxy-acetyl-amino group occupies a position similar to that of the uridine moiety of the nucleotide substrate. The chlorine atom forms hydrophobic interactions with I147, M165 and V129 of chain E whereas the sulfur group forms pi-sulfur interaction with H120 of chain A Go to the Ligand Summary Page
Show all pathways known for 2.3.1.129Display the word mapDisplay the reaction diagram Show all sequences 2.3.1.1295-amino-4-hydroxy-3-[(E)-[8-hydroxy-6-(hydroxysulfonothioyl)-3-sulfonaphthalen-1-yl]diazenyl]naphthalene-2,7-disulfonic acid compound identified using a complex-based pharmacophore model. Compound shows selective inhibition properties with essential residues in the pocket. The compound complies with the Lipinski rule showing no toxicity and drug likeness properties Go to the Ligand Summary Page
Show all pathways known for 2.3.1.129Display the word mapDisplay the reaction diagram Show all sequences 2.3.1.1297-[3-([(2S)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione compound identified using a complex-based pharmacophore model. Compound shows selective inhibition properties with essential residues in the pocket. The compound complies with the Lipinski rule showing no toxicity and drug likeness properties Go to the Ligand Summary Page
Show all pathways known for 2.3.1.129Display the word mapDisplay the reaction diagram Show all sequences 2.3.1.129diethyldicarbonate - Go to the Ligand Summary Page
Show all pathways known for 2.3.1.129Display the word mapDisplay the reaction diagram Show all sequences 2.3.1.129DL-3-hydroxymyristic acid competitive versus TAMRA peptide Go to the Ligand Summary Page
Show all pathways known for 2.3.1.129Display the word mapDisplay the reaction diagram Show all sequences 2.3.1.129erythroskyrin binding energy score of ?4.17, spans between two subunits of LpxA interacting with Q68 (OE1 and OE2 atom), L70 (N backbone) and H120 (NE2 atom) of chain A and G196 (backbone O), K200 (NZ atom) of chain E Go to the Ligand Summary Page
Results 1 - 10 of 38 > >>
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