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Ligand · YA8

YA8 · [(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl](6-bromonaphthalen-2-yl)methanone

YA8, [(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl](6-bromonaphthalen-2-yl)methanone (C26 H22 Br N5 O2, 516.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB…

Component
YA8
Formula
C26 H22 Br N5 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

YA8 in 1 structure; the first of them:

  • 7G4T · Crystal Structure of rat Autotaxin in complex with… · YA8 A901 · binds SER169, ASP171, THR209, PHE210, LEU213, LEU216, ALA217, ASN230 and 10 more

Residues it binds most

LEU 1, PHE 1, ALA 1, ASP 1, HIS 1, TRP 1, ASN 1, SER 1, THR 1, TYR 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion
  • ZN · Zinc ion
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion

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