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Ligand · 7B3

7B3 · 4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine

7B3, 4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine (C10 H13 N3 O, 191.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
7B3
Formula
C10 H13 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

7B3 in 2 structures; the first of them:

  • 5LWT · Endothiapepsin in complex with a methoxylated derivative of fragment 177 · 7B3 A409 · binds ASP15, LEU224, TYR226, VAL248, PHE280, GLY281, PRO282, ILE283 and 1 more
  • 5LWT · Endothiapepsin in complex with a methoxylated derivative of fragment 177 · 7B3 A409 · binds ASP15, LEU224, PHE280, GLY281, PRO282, PHE291

Residues it binds most

ASP 4, LEU 4, PHE 2, GLY 2, ILE 2, PRO 2, TYR 1, VAL 1 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • TFA · trifluoroacetic acid

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