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Ligand · J4F

J4F · 3-[4-[[1-[(4-chloranyl-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid

J4F, 3-[4-[[1-[(4-chloranyl-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid (C24 H23 Cl N8 O4, 523.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
J4F
Formula
C24 H23 Cl N8 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

J4F in 2 structures; the first of them:

  • 7EHN · Human MTHFD2 in complex with compound 21 and 9 · J4F A401 · binds LEU133, PRO134, GLY156, PHE157, VAL162, MET165, CYS166, PRO174 and 10 more
  • 7EHN · Human MTHFD2 in complex with compound 21 and 9 · J4F A401 · binds LEU133, PRO134, GLY156, PHE157, VAL162, MET165, CYS166, PRO174 and 10 more

Residues it binds most

MET 4, PRO 4, LEU 4, VAL 4, CYS 4, ASN 4, GLY 4, LYS 4, PHE 4, ARG 2 (residue and the binding sites it lines).

Found with

  • J49 · (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl) carbamoylamino]phenyl]carbonylamino]pentanedioic acid

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