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Ligand · WCS

WCS · 6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl) propyl]pyrimidin-4-amine

WCS, 6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl) propyl]pyrimidin-4-amine (C22 H30 N6 O3 S, 458.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site…

Component
WCS
Formula
C22 H30 N6 O3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

WCS in 4 structures; the first of them:

  • 7BLA · BAZ2A bromodomain in complex with TP-238 chemical probe · WCS A1901 · binds TRP1816, PRO1817, PHE1818, VAL1822, LEU1826, VAL1827, TYR1830, ASN1868 and 4 more
  • 7KDZ · Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing… · WCS A3102 · binds TRP2950, PRO2951, PHE2952, VAL2956, ASP2957, ASP2960, ALA2961, PRO2962 and 5 more
  • 7BLA · BAZ2A bromodomain in complex with tp-238 chemical probe · WCS A1901 · binds PRO1817, PHE1818, VAL1822, LEU1826, VAL1827, TYR1830, CYS1869, PHE1872 and 2 more
  • 7KDZ · Crystal structure of the bromodomain (bd) of human bromodomain and phd finger-containing… · WCS A3102 · binds TRP2950, PRO2951, PHE2952, VAL2956, ASP2957, ASP2960, CYS3003, TYR3006 and 2 more

Residues it binds most

PHE 4, VAL 4, ASN 4, PRO 4, TYR 4, ASP 2, CYS 4, TRP 3, LEU 2, ALA 1 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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