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Ligand · 7D6

7D6 · (S)-orteronel

7D6, (S)-orteronel (C18 H17 N3 O2, 307.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
7D6
Formula
C18 H17 N3 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

7D6 in 1 structure; the first of them:

  • 5IRQ · Human cytochrome P450 17A1 bound to inhibitors (R)- and (S)- orteronel · 7D6 C601 · binds ALA105, ALA113, PHE114, ASN202, ILE205, ILE206, ARG239, THR294 and 9 more

Residues it binds most

ALA 2, VAL 2, GLY 2, THR 2, ARG 2, ASN 2, ASP 2, ILE 1, PHE 2 (residue and the binding sites it lines).

Found with

  • 6D7 · (R)-orteronel
  • HEM · Protoporphyrin IX containing Fe

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