Ligand · I0A
I0A · 25-chloro-11-(ethylsulfonyl)-44-morpholino-11H-5,12-dioxa-3-aza-1(3,6)-indola-2(4,2)-pyrimidina-4(1,3)-benzenacyclododecaphane
I0A, 25-chloro-11-(ethylsulfonyl)-44-morpholino-11H-5,12-dioxa-3-aza-1(3,6)-indola-2(4,2)-pyrimidina-4(1,3)-benzenacyclododecaphane (C30 H34 Cl N5 O5 S, 612.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…
- Component
- I0A
- Formula
- C30 H34 Cl N5 O5 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
I0A in 2 structures; the first of them:
- 7VRA · The crystal structure of EGFR T790M/C797S with the inhibitor HC5476 · I0A A1101 · binds LEU718, GLY719, SER720, PHE723, VAL726, ALA743, LYS745, CYS775 and 13 more
- 7VRA · The crystal structure of EGFR T790M/C797S with the inhibitor HC5476 · I0A A1101 · binds LEU718, GLY719, SER720, PHE723, VAL726, ALA743, LYS745, CYS775 and 13 more
Residues it binds most
LEU 2, ASP 2, GLY 2, MET 2, SER 2, ALA 2, ARG 2, ASN 2, CYS 2, GLN 2 (residue and the binding sites it lines).
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