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Ligand · 3ND

3ND · (3S,4R)-N-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide

3ND, (3S,4R)-N-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide (C20 H17 Cl2 N3 O2, 402.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
3ND
Formula
C20 H17 Cl2 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3ND in 2 structures; the first of them:

  • 3NDM · Crystal structure of Rho-Associated Protein Kinase (ROCK1) with a potent isoquinolone… · 3ND B900 · binds ILE82, GLY83, ARG84, GLY85, GLY88, GLU89, VAL90, ALA103 and 12 more
  • 3NDM · Crystal structure of rho-associated protein kinase (ROCK1) with a potent isoquinolone… · 3ND B900 · binds ILE82, GLY83, ARG84, GLY85, GLY88, GLU89, VAL90, ALA103 and 12 more

Residues it binds most

GLY 6, MET 6, ALA 6, ASP 6, GLU 6, LEU 6, VAL 6, ARG 6, ILE 6, LYS 6 (residue and the binding sites it lines).

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