Ligand · SQE

SQE · 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

SQE, 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (C25 H23 Cl F2 N6 O3, 528.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component: SQE
Formula: C25 H23 Cl F2 N6 O3
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

SQE in 2 structures; the first of them:

7B33 · MST3 in complex with MRIA11 · SQE A905 · binds ILE42, SER46, PHE47, VAL50, ALA63, ILE64, LYS65, ILE67 and 15 more
7B33 · MST3 in complex with MRIA11 · SQE A905 · binds ILE42, SER46, PHE47, VAL50, ALA63, LYS65, ILE67, ILE79 and 12 more

Residues it binds most

ILE 2, LEU 2, ALA 2, GLU 2, ASP 2, ASN 2, LYS 2, MET 2, PHE 2, SER 2 (residue and the binding sites it lines).

Found with

EDO · 1,2-ethanediol

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