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Ligand · 501

501 · N7-butyl-N2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine

501, N7-butyl-N2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine (C17 H21 Cl N6, 344.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
501
Formula
C17 H21 Cl N6
Class
ligand
Structures
2
PDB entries
1

Binding sites

501 in 2 structures; the first of them:

  • 1ZGV · Thrombin in complex with an oxazolopyridine inhibitor 2 · 501 A1001 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more
  • 1ZGV · Thrombin in complex with an oxazolopyridine inhibitor 2 · 501 A1001 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more

Residues it binds most

GLY 2, CYS 2, GLU 2, SER 2, TRP 2, TYR 2, ALA 2, ASN 2, ASP 2, HIS 2 (residue and the binding sites it lines).

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