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Ligand · 54Y

54Y · 5-chloro-N,1-dimethyl-1H-pyrazole-4-carboxamide

54Y, 5-chloro-N,1-dimethyl-1H-pyrazole-4-carboxamide (C6 H8 Cl N3 O, 173.6 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
54Y
Formula
C6 H8 Cl N3 O
Class
ligand
Structures
3
PDB entries
2

Binding sites

54Y in 3 structures; the first of them:

  • 5CUE · Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain… · 54Y A2001 · binds PRO1888, PHE1889, VAL1893, VAL1898, TYR1901, PHE1943, ASN1944, ILE1950
  • 5S8J · XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin… · 54Y A1501 · binds PRO1340, PHE1341, VAL1345, TYR1350, SER1392, TYR1395, THR1396, PRO1397 and 2 more
  • 5S8J · Xchem group deposition -- crystal structure of the second bromodomain of pleckstrin… · 54Y A1501 · binds PRO1340, PHE1341, VAL1345, TYR1350, SER1392, TYR1395, THR1396, PRO1397 and 1 more

Residues it binds most

TYR 3, PRO 3, PHE 3, VAL 3, ILE 3, SER 2, THR 2, ASN 1 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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