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Ligand · 85A

85A · 18-chloro-2-oxo-17-[(pyridin-4-ylmethyl)amino]-2,3,11,12,13,14-hexahydro-1H,10H-4,8-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecine-7-carbonitrile

85A, 18-chloro-2-oxo-17-[(pyridin-4-ylmethyl)amino]-2,3,11,12,13,14-hexahydro-1H,10H-4,8-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecine-7-carbonitrile (C23 H22 Cl N7 O3, 479.9 g/mol), in the MolNFT structures on GenesisL1: bound in 1…

Component
85A
Formula
C23 H22 Cl N7 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

85A in 1 structure; the first of them:

  • 2E9V · Structure of h-CHK1 complexed with A859017 · 85A A1001 · binds LEU15, GLY16, VAL23, ALA36, LYS38, GLU55, VAL68, LEU84 and 10 more

Residues it binds most

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

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