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Ligand · O1E

O1E · 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine

O1E, 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine (C13 H14 N4 S, 258.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
O1E
Formula
C13 H14 N4 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

O1E in 4 structures; the first of them:

  • 6XUF · HumRadA1 in complex with 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine in P21 · O1E A402 · binds MET169, TRP170, ILE171, ALA201, TYR202, ALA203, HIS210, LEU213 and 3 more
  • 6XUJ · HumRadA1 in complex with 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine in… · O1E A402 · binds MET169, TRP170, ILE171, ALA201, TYR202, ALA203, ARG204, HIS210 and 3 more
  • 6XUF · HUMRADA1 in complex with 5-ethyl-N-(1H-indol-5-ylmethyl)-1,3,4- thiadiazol-2-amine in P21 · O1E A402 · binds MET169, TRP170, ILE171, ALA201, TYR202, ALA203, HIS210, LEU213 and 3 more
  • 6XUJ · HUMRADA1 in complex with 5-ethyl-N-(1H-indol-5-ylmethyl)-1,3,4- thiadiazol-2-amine in… · O1E A402 · binds MET169, TRP170, ILE171, ALA201, TYR202, ALA203, ARG204, HIS210 and 3 more

Residues it binds most

ALA 4, LEU 4, GLN 4, HIS 4, ILE 4, MET 4, TRP 4, TYR 4, ARG 2 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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