Ligand · IK9
IK9 · 2-{[(2Z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol
IK9, 2-{[(2Z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol (C19 H17 F N6 O3, 396.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…
- Component
- IK9
- Formula
- C19 H17 F N6 O3
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
IK9 in 2 structures; the first of them:
- 4CWT · Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor · IK9 A1225 · binds PHE22, ASN51, LYS58, MET98, ASP102, LEU103, LEU107, ALA111 and 7 more
- 4CWT · Human HSP90 alpha N-terminal domain in complex with an aminotriazoloquinazoline inhibitor · IK9 A1225 · binds PHE22, ASN51, LYS58, MET98, ASP102, LEU103, LEU107, ALA111 and 7 more
Residues it binds most
PHE 2, LEU 2, VAL 2, ALA 2, ASN 2, ASP 2, GLY 2, LYS 2, MET 2, TRP 2 (residue and the binding sites it lines).
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