Ligand · 3XL

3XL · 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile

3XL, 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile (C17 H10 N4 O, 286.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component: 3XL
Formula: C17 H10 N4 O
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

3XL in 2 structures; the first of them:

4RVL · CHK1 kinase domain with diazacarbazole compound 7… · 3XL A301 · binds LEU15, VAL23, ALA36, LYS38, VAL68, LEU84, GLU85, TYR86 and 6 more
4RVL · CHK1 kinase domain with diazacarbazole compound 7: 3-(2… · 3XL A301 · binds LEU15, VAL23, ALA36, LYS38, VAL68, LEU84, GLU85, TYR86 and 6 more

Residues it binds most

LEU 2, GLU 2, VAL 2, ALA 2, ASP 2, CYS 2, GLY 2, LYS 2, SER 2, TYR 2 (residue and the binding sites it lines).

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