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Ligand · J4C

J4C · (2S)-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid

J4C, (2S)-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid (C26 H24 Cl2 N6 O7, 603.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
J4C
Formula
C26 H24 Cl2 N6 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

J4C in 2 structures; the first of them:

  • 7EHM · Human MTHFD2 in complex with compound 21 and 15 · J4C A401 · binds ASN78, ALA80, TYR84, LEU133, PRO134, GLU141, ARG142, GLY156 and 14 more
  • 7EHM · Human MTHFD2 in complex with compound 21 and 15 · J4C A401 · binds ASN78, ALA80, TYR84, LEU133, PRO134, GLU141, ARG142, GLY156 and 14 more

Residues it binds most

MET 4, PRO 4, CYS 4, LEU 4, ASN 4, ALA 4, ARG 4, GLU 4, GLY 4, ILE 4 (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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