Ligand · 13I

13I · (E)-ethyl 13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydrobenzo[c][1]azacyclotetradecine-10-carboxylate

13I, (E)-ethyl 13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydrobenzo[c][1]azacyclotetradecine-10-carboxylate (C20 H26 Cl N O6, 411.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component: 13I
Formula: C20 H26 Cl N O6
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

13I in 2 structures; the first of them:

2XX4 · Macrolactone Inhibitor bound to HSP90 N-term · 13I A1215 · binds LEU34, ASN37, ALA38, ALA41, LYS44, ASP79, ILE82, GLY83 and 9 more
2XX4 · Macrolactone inhibitor bound to HSP90 N-term · 13I A1215 · binds LEU34, ASN37, ALA38, ALA41, LYS44, ASP79, ILE82, GLY83 and 9 more

Residues it binds most

LEU 2, ALA 2, ASN 2, GLY 2, ASP 2, ILE 2, LYS 2, MET 2, PHE 2, SER 2 (residue and the binding sites it lines).

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