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Ligand · SG8

SG8 · 3-chloro-4,7-difluoro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide

SG8, 3-chloro-4,7-difluoro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide (C28 H26 Cl F2 N3 O S, 526.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
SG8
Formula
C28 H26 Cl F2 N3 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

SG8 in 2 structures; the first of them:

  • 4QIN · Structure of the human smoothened receptor in complex with SAG1.5 · SG8 A1201 · binds ILE215, ASN219, PRO220, LEU221, PHE222, MET301, LEU303, GLY383 and 13 more
  • 4QIN · Structure of the human smoothened receptor in complex with SAG1.5 · SG8 A1201 · binds ILE215, ASN219, PRO220, LEU221, PHE222, MET301, LEU303, GLY383 and 13 more

Residues it binds most

ASP 2, GLU 2, LEU 2, PHE 2, PRO 2, ARG 2, ASN 2, GLN 2, GLY 2, HIS 2 (residue and the binding sites it lines).

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