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Ligand · VJM

VJM · 4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine

VJM, 4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine (C20 H26 N6 O2 S, 414.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2…

Component
VJM
Formula
C20 H26 N6 O2 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

VJM in 4 structures; the first of them:

  • 7JSP · Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase… · VJM A1701 · binds TRP1526, PRO1527, PHE1528, HIS1530, PRO1531, VAL1532, ASN1533, PHE1536 and 5 more
  • 7K03 · Crystal structure of the tandem bromodomain (BD1 and BD2) of human TAF1 bound to ATR… · VJM A1701 · binds TRP1526, PRO1527, PHE1528, HIS1530, PRO1531, VAL1532, ASN1533, PHE1536 and 5 more
  • 7JSP · Crystal structure of the second bromodomain (BD2) of human TAF1 bound to atr kinase… · VJM A1701 · binds TRP1526, PRO1527, PHE1528, HIS1530, PRO1531, VAL1532, ASN1533, PHE1536 and 2 more
  • 7K03 · Crystal structure of the tandem bromodomain (BD1 and BD2) of human TAF1 bound to atr… · VJM A1701 · binds TRP1526, PRO1527, PHE1528, HIS1530, PRO1531, VAL1532, ASN1533, PHE1536 and 4 more

Residues it binds most

TYR 4, ASN 4, PHE 4, PRO 4, VAL 4, HIS 4, TRP 4 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • SO4 · Sulfate ion

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