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Ligand · O1H

O1H · 4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile

O1H, 4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile (C24 H15 Cl N8, 450.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
O1H
Formula
C24 H15 Cl N8
Class
ligand
Structures
2
PDB entries
1

Binding sites

O1H in 2 structures; the first of them:

  • 6XUE · Human Ecto-5'-nucleotidase (CD73) in complex with A2396 (compound 74 in publication) in… · O1H A605 · binds ASN117, HIS118, ASP121, PRO182, PHE183, LEU184, SER185, ASN186 and 10 more
  • 6XUE · Human ecto-5'-nucleotidase (CD73) in complex with A2396 (compound 74 in publication) in… · O1H A605 · binds ASN117, HIS118, ASP121, PRO182, PHE183, LEU184, SER185, ASN186 and 10 more

Residues it binds most

GLY 4, ASN 4, PHE 4, ASP 4, HIS 4, LEU 4, PRO 4, SER 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • PO4 · Phosphate ion

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