Ligand · JI3
JI3 · N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(4-chlorobenzyl)ethane-1,2-diamine
JI3, N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(4-chlorobenzyl)ethane-1,2-diamine (C20 H28 Cl N5, 373.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with…
- Component
- JI3
- Formula
- C20 H28 Cl N5
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
JI3 in 4 structures; the first of them:
- 3B3O · Structure of neuronal nos heme domain in complex with a inhibitor… · JI3 A800 · binds MET336, LEU337, GLN478, PRO565, VAL567, PHE584, SER585, GLY586 and 7 more
- 3DQS · Structure of endothelial NOS heme domain in complex with a inhibitor… · JI3 A800 · binds VAL106, LEU107, GLN249, PRO336, VAL338, PHE355, SER356, GLY357 and 7 more
- 3B3O · Structure of neuronal nos heme domain in complex with a inhibitor (+… · JI3 A800 · binds MET336, LEU337, GLN478, PRO565, VAL567, PHE584, SER585, GLY586 and 7 more
- 3DQS · Structure of endothelial nos heme domain in complex with a inhibitor… · JI3 A800 · binds VAL106, LEU107, GLN249, PRO336, VAL338, PHE355, SER356, GLY357 and 7 more
Residues it binds most
TRP 8, TYR 8, MET 8, VAL 8, GLN 8, GLU 8, GLY 8, LEU 8, PHE 8, PRO 8 (residue and the binding sites it lines).
Found with
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