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Ligand · IRD

IRD · (3~{S})-1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-methyl-pent-1-yn-3-ol

IRD, (3~{S})-1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-methyl-pent-1-yn-3-ol (C21 H22 N4 O, 346.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB…

Component
IRD
Formula
C21 H22 N4 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

IRD in 1 structure; the first of them:

  • 7ZHQ · Crystal structure of TTBK1 in complex with compound 10 (7-009) · IRD A411 · binds ILE40, ILE48, ALA61, LYS63, GLU77, LEU81, CYS91, VAL105 and 9 more

Residues it binds most

LEU 1, GLN 1, ILE 1, MET 1, ALA 1, ASP 1, CYS 1, GLU 1, GLY 1, LYS 1 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol

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