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Ligand · XWV

XWV · 5-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}isoquinoline

XWV, 5-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}isoquinoline (C22 H25 N5 O2 S, 423.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
XWV
Formula
C22 H25 N5 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

XWV in 2 structures; the first of them:

  • 7LB1 · Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-585 · XWV A1720 · binds TRP1526, PRO1527, PHE1528, HIS1530, PRO1531, VAL1532, ASN1533, PHE1536 and 5 more
  • 7LB1 · Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-585 · XWV A1720 · binds TRP1526, PRO1527, PHE1528, HIS1530, PRO1531, VAL1532, ASN1533, PHE1536 and 3 more

Residues it binds most

TYR 2, ASN 2, PHE 2, PRO 2, VAL 2, HIS 2, TRP 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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