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Ligand · XBA

XBA · 7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one

XBA, 7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one (C19 H23 F N2 O3 S, 378.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its…

Component
XBA
Formula
C19 H23 F N2 O3 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

XBA in 1 structure; the first of them:

  • 6WE2 · Human PARP14 (ARTD8), catalytic fragment in complex with RBN012759 · XBA A1901 · binds HIS1682, GLY1683, THR1684, ASP1685, SER1688, TYR1701, LYS1704, ASN1705 and 11 more

Residues it binds most

TYR 2, ALA 2, THR 2, SER 2, ARG 2, ASN 2, ASP 2, GLY 2, HIS 2, LEU 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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