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Ligand · 30J

30J · 6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile

30J, 6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile (C26 H23 Cl N6, 454.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
30J
Formula
C26 H23 Cl N6
Class
ligand
Structures
2
PDB entries
1

Binding sites

30J in 2 structures; the first of them:

  • 4Q6R · Crystal structure of human sphingosine-1-phosphate lyase in complex with inhibitor… · 30J A903 · binds LEU173, HIS174, PRO175, ASP176, TRP382, GLY384, ILE386, TYR387 and 11 more
  • 4Q6R · Crystal structure of human sphingosine-1-phosphate lyase in complex with inhibitor… · 30J A903 · binds LEU173, HIS174, PRO175, ASP176, TRP382, GLY384, ILE386, TYR387 and 11 more

Residues it binds most

ALA 4, ILE 4, LEU 4, PHE 4, TYR 4, ASN 4, ASP 4, GLY 4, HIS 4, PRO 4 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • GOL · Glycerol
  • SIN · Succinic acid

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