GL1X · GenesisL1 explorer

Ligand · Y0Q

Y0Q · [(3aR,3bR,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][5-chloro-4-(cyclopropylmethoxy)pyridin-2-yl]methanone

Y0Q, [(3aR,3bR,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][5-chloro-4-(cyclopropylmethoxy)pyridin-2-yl]methanone (C25 H25 Cl N6 O3, 493.0 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
Y0Q
Formula
C25 H25 Cl N6 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

Y0Q in 1 structure; the first of them:

  • 7G37 · Crystal Structure of rat Autotaxin in complex with… · Y0Q A901 · binds ILE167, SER169, ASP171, THR209, PHE210, LEU213, TYR214, LEU216 and 11 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • K · Potassium 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
  • ACT · Acetate ion

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