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Ligand · O1T

O1T · [[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid

O1T, [[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid (C20 H24 Cl F N4 O9 P2, 580.8 g/mol), in…

Component
O1T
Formula
C20 H24 Cl F N4 O9 P2
Class
ligand
Structures
2
PDB entries
1

Binding sites

O1T in 2 structures; the first of them:

  • 6XUQ · Human Ecto-5'-nucleotidase (CD73) in complex with A1618 (compound 1b in publication) in… · O1T A604 · binds ASP36, HIS38, ASP85, GLN88, ASN117, HIS118, ASP121, LEU184 and 16 more
  • 6XUQ · Human ecto-5'-nucleotidase (CD73) in complex with A1618 (compound 1B in publication) in… · O1T A604 · binds ASP36, HIS38, ASP85, GLN88, ASN117, HIS118, ASP121, LEU184 and 16 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • ZN · Zinc ion

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