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Ligand · 7UB

7UB · (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one

7UB, (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one (C25 H29 N7 O2, 459.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
7UB
Formula
C25 H29 N7 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

7UB in 2 structures; the first of them:

  • 7RW7 · Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM… · 7UB A409 · binds PHE18, LEU19, PHE20, GLN190, ASP191, ARG192, GLY193, ALA194 and 5 more
  • 7RW7 · Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM… · 7UB A409 · binds PHE18, LEU19, PHE20, GLN190, ASP191, ARG192, GLY193, ALA194 and 5 more

Residues it binds most

GLY 2, ARG 2, PHE 2, ALA 2, ASP 2, GLN 2, LEU 2, TRP 2, VAL 2 (residue and the binding sites it lines).

Found with

  • SAM · S-adenosylmethionine
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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