GL1X · GenesisL1 explorer

Ligand · QCQ

QCQ · [[(2~{R},3~{R},4~{S},5~{R})-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid

QCQ, [[(2~{R},3~{R},4~{S},5~{R})-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid (C18 H21 Cl F N5 O8 P2, 551.8 g/mol), in the MolNFT structures on…

Component
QCQ
Formula
C18 H21 Cl F N5 O8 P2
Class
ligand
Structures
2
PDB entries
1

Binding sites

QCQ in 2 structures; the first of them:

  • 6Z9B · Human Ecto-5'-nucleotidase (CD73) in complex with AOPCP derivative A830 (compound 16 in… · QCQ A604 · binds ASP36, HIS38, ASP85, ASN117, HIS118, ASP121, LEU184, SER185 and 15 more
  • 6Z9B · Human ecto-5'-nucleotidase (CD73) in complex with aopcp derivative A830 (compound 16 in… · QCQ A604 · binds ASP36, HIS38, ASP85, ASN117, HIS118, ASP121, LEU184, SER185 and 14 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • ZN · Zinc ion

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