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Ligand · 99B

99B · 5-[(2R)-butan-2-ylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide

99B, 5-[(2R)-butan-2-ylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide (C29 H37 N5 O3, 503.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
99B
Formula
C29 H37 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

99B in 2 structures; the first of them:

  • 4AWO · Complex of HSP90 ATPase domain with tropane derived inhibitors · 99B A1225 · binds ALA21, PHE22, GLN23, ILE26, ASN51, SER52, ASP54, ALA55 and 19 more
  • 4AWO · Complex of HSP90 ATPase domain with tropane derived inhibitors · 99B A1225 · binds ALA21, PHE22, GLN23, ILE26, ASN51, SER52, ASP54, ALA55 and 19 more

Residues it binds most

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

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