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Ligand · 99A

99A · N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide

99A, N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide (C30 H33 N5 O3, 511.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
99A
Formula
C30 H33 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

99A in 2 structures; the first of them:

  • 4AWP · Complex of HSP90 ATPase domain with tropane derived inhibitors · 99A A1224 · binds ALA21, PHE22, GLN23, ILE26, ASN51, SER52, ALA55, ASP93 and 15 more
  • 4AWP · Complex of HSP90 ATPase domain with tropane derived inhibitors · 99A A1224 · binds ALA21, PHE22, GLN23, ILE26, ASN51, SER52, ALA55, ASP93 and 15 more

Residues it binds most

ASN 4, PHE 4, ILE 4, ALA 4, ASP 4, LEU 4, VAL 4, GLN 4, MET 4, SER 4 (residue and the binding sites it lines).

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