Ligand · 0R9

0R9 · 5-{2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}pyridine-3-carboxylic acid

0R9, 5-{2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}pyridine-3-carboxylic acid (C20 H15 F3 N6 O3, 444.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component: 0R9
Formula: C20 H15 F3 N6 O3
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

0R9 in 2 structures; the first of them:

4EMV · Crystal structure of a topoisomerase ATP inhibitor · 0R9 A301 · binds ILE48, ASN51, ALA52, GLU55, VAL76, ASP78, ARG81, GLY82 and 11 more
4EMV · Crystal structure of a topoisomerase ATP inhibitor · 0R9 A301 · binds ILE48, ASN51, ALA52, GLU55, VAL76, ASP78, ARG81, GLY82 and 11 more

Residues it binds most

VAL 2, ARG 2, ILE 2, THR 2, ALA 2, ASN 2, ASP 2, GLU 2, GLY 2, HIS 2 (residue and the binding sites it lines).

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