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Ligand · 486

486 · 11-(4-dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodec ahydro-cyclopenta[a]phenanthren-3-one

486, 11-(4-dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodec ahydro-cyclopenta[a]phenanthren-3-one (C29 H35 N O2, 429.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
486
Formula
C29 H35 N O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

486 in 4 structures; the first of them:

  • 5UC1 · Structural Analysis of Glucocorticoid Receptor beta Ligand Binding Domain Complexed with… · 486 A801 · binds LEU559, ASN560, LEU562, GLY563, GLY564, GLN566, VAL567, TRP596 and 11 more
  • 5UC3 · Structure of the dominant negative mutant Glucocorticoid Receptor alpha (L733K/N734P)… · 486 A801 · binds MET560, LEU563, ASN564, LEU566, GLY567, GLN570, TRP600, MET601 and 9 more
  • 5UC1 · Structural analysis of glucocorticoid receptor beta ligand binding domain complexed with… · 486 A801 · binds LEU559, ASN560, LEU562, GLY563, GLY564, GLN566, VAL567, TRP596 and 11 more
  • 5UC3 · Structure of the dominant negative mutant glucocorticoid receptor alpha (L733K/N734P)… · 486 A801 · binds MET560, LEU563, ASN564, LEU566, GLY567, GLN570, TRP600, MET601 and 9 more

Residues it binds most

MET 8, LEU 8, GLN 8, ASN 8, GLY 8, TRP 8, ARG 8, CYS 8, PHE 8, VAL 6 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate
  • CL · Chloride ion
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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