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Ligand · SYW

SYW · (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl) piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one

SYW, (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl) piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one (C22 H22 N4 O5 S, 454.5 g/mol), in the MolNFT structures on GenesisL1: bound in 9 records (5 PDB entries). Every binding site with its…

Component
SYW
Formula
C22 H22 N4 O5 S
Class
ligand
Structures
9
PDB entries
5

Binding sites

SYW in 9 structures; the first of them:

  • 7B64 · Structure of NUDT15 V18I Mutant in complex with TH7755 · SYW A201 · binds GLY15, VAL16, GLY17, ARG34, VAL38, GLN44, LEU45, PRO46 and 11 more
  • 7B65 · Structure of NUDT15 R139C Mutant in complex with TH7755 · SYW A201 · binds GLY15, VAL16, GLY17, ARG34, VAL38, PHE43, GLN44, LEU45 and 13 more
  • 7B66 · Structure of NUDT15 R139H Mutant in complex with TH7755 · SYW A201 · binds GLY15, VAL16, GLY17, ARG34, VAL38, GLN44, LEU45, PRO46 and 11 more
  • 7B67 · Structure of NUDT15 V18_V19insGV Mutant in complex with TH7755 · SYW A201 · binds GLY17, VAL18, GLY19, ARG36, VAL40, PHE45, GLN46, LEU47 and 13 more
  • 7B63 · Structure of NUDT15 in complex with TH7755 · SYW A201 · binds GLY15, VAL16, GLY17, VAL38, GLN44, LEU45, PRO46, GLY48 and 10 more
  • 7B64 · Structure of NUDT15 V18I mutant in complex with TH7755 · SYW A201 · binds GLY15, VAL16, GLY17, ARG34, VAL38, GLN44, LEU45, PRO46 and 11 more
  • 7B65 · Structure of NUDT15 R139C mutant in complex with TH7755 · SYW A201 · binds GLY15, VAL16, GLY17, ARG34, VAL38, GLN44, LEU45, PRO46 and 11 more
  • 7B66 · Structure of NUDT15 R139H mutant in complex with TH7755 · SYW A201 · binds GLY15, VAL16, GLY17, ARG34, VAL38, GLN44, LEU45, PRO46 and 11 more
  • 7B67 · Structure of NUDT15 V18_V19INSGV mutant in complex with TH7755 · SYW A201 · binds GLY17, VAL18, GLY19, VAL40, GLN46, LEU47, PRO48, GLY50 and 10 more

Residues it binds most

GLY 20, LEU 20, TYR 20, VAL 20, PHE 20, GLN 20, GLU 20, HIS 20, PRO 20, THR 20 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • PO4 · Phosphate ion

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