Ligand · B92

B92 · (3S)-3-({[(5S,10aS)-2-{(2S)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1H-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid

B92, (3S)-3-({[(5S,10aS)-2-{(2S)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1H-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid (C29 H35 N5 O9, 597.6 g/mol), in the MolNFT…

Component: B92
Formula: C29 H35 N5 O9
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

B92 in 2 structures; the first of them:

3KJF · Caspase 3 Bound to a covalent inhibitor · B92 B285 · binds ARG64, SER120, HIS121, GLY122, GLN161, ALA162, CYS163, TYR204 and 9 more
3KJF · Caspase 3 bound to a covalent inhibitor · B92 B285 · binds ARG64, SER120, HIS121, GLY122, GLN161, ALA162, CYS163, TYR204 and 9 more

Residues it binds most

SER 2, ARG 2, PHE 2, TRP 2, ALA 2, ASN 2, CYS 2, GLN 2, GLY 2, HIS 2 (residue and the binding sites it lines).

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