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Ligand · I5D

I5D · 2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide

I5D, 2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide (C19 H17 N5 O2 S, 379.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues…

Component
I5D
Formula
C19 H17 N5 O2 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

I5D in 2 structures; the first of them:

  • 7XY6 · Adenosine receptor bound to an agonist in complex with G protein obtained by cryo-EM · I5D R501 · binds TYR10, ALA64, SER68, VAL85, LEU86, THR89, GLN90, PHE173 and 10 more
  • 8HDO · Structure of A2BR bound to synthetic agonists BAY 60-6583 · I5D R408 · binds TYR10, ALA64, ILE67, SER68, VAL85, LEU86, THR89, ILE93 and 14 more

Residues it binds most

ASN 2, MET 2, VAL 2, ILE 2, HIS 2, LEU 2, ALA 2, PHE 2, SER 2, THR 2 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol

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