Ligand · T40
T40 · 5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one
T40, 5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one (C21 H23 N3 O, 333.4 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 residues it…
- Component
- T40
- Formula
- C21 H23 N3 O
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
T40 in 2 structures; the first of them:
- 4UUH · X-ray crystal structure of human TNKS in complex with a small molecule inhibitor · T40 A3000 · binds PHE1183, HIS1184, GLY1185, SER1186, PRO1187, PHE1188, HIS1201, ALA1202 and 9 more
- 4UUH · X-ray crystal structure of human tnks in complex with a small molecule inhibitor · T40 A3000 · binds PHE1183, HIS1184, GLY1185, SER1186, PRO1187, PHE1188, HIS1201, ALA1202 and 9 more
Residues it binds most
PHE 2, TYR 2, ALA 2, HIS 2, SER 2, GLU 2, GLY 2, ILE 2, LYS 2, PRO 2 (residue and the binding sites it lines).
Found with
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