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Ligand · JH9

JH9 · [4-[(2~{S})-3-[(4-fluoranyl-3-prop-2-enyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate

JH9, [4-[(2~{S})-3-[(4-fluoranyl-3-prop-2-enyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate (C27 H27 F2 N2 O6 P, 544.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
JH9
Formula
C27 H27 F2 N2 O6 P
Class
ligand
Structures
2
PDB entries
2

Binding sites

JH9 in 2 structures; the first of them:

  • 7ZLR · Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 13 · JH9 A201 · binds VAL55, ASN56, LYS59, ARG73, ASP74, SER75, SER76, HIS77 and 12 more
  • 7ZLS · co-crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 13 · JH9 A202 · binds VAL55, LYS59, ARG73, ASP74, SER75, SER76, HIS77, THR83 and 13 more

Residues it binds most

SER 5, ARG 5, HIS 5, LEU 5, THR 5, VAL 5, ASN 5, ILE 4, ASP 5, LYS 5 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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