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Ligand · P2L

P2L · 4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one

P2L, 4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one (C11 H17 Cl N4 O, 256.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component
P2L
Formula
C11 H17 Cl N4 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

P2L in 4 structures; the first of them:

  • 5ML0 · Bromodomain of Mouse PCAF with (R)-4-chloro-2-methyl-5-((1-methylpiperidin-3-yl)amino)pyri… · P2L A901 · binds PRO746, PHE747, PRO750, VAL751, GLU755, ALA756, TYR759, CYS798 and 3 more
  • 7LP0 · Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-077 · P2L A3101 · binds TRP2950, PRO2951, PHE2952, PRO2955, VAL2956, ASP2960, ALA2961, TYR3006 and 2 more
  • 5ML0 · Bromodomain of mouse pcaf with (R)-4-chloro-2-methyl-5-((1… · P2L A901 · binds PRO746, PHE747, PRO750, VAL751, GLU755, ALA756, TYR759, CYS798 and 3 more
  • 7LP0 · Crystal structure of bptf bromodomain in complex with inhibitor pdy-3- 077 · P2L A3101 · binds TRP2950, PRO2951, PHE2952, PRO2955, VAL2956, ASP2960, ALA2961, TYR3006 and 2 more

Residues it binds most

PRO 6, PHE 6, TYR 6, ALA 6, ASN 6, VAL 6, GLU 4, TRP 4, ASP 2, CYS 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • DMS · Dimethyl sulfoxide

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