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Ligand · 889

889 · N-{6,6-dimethyl-5-[(1-methylpiperidin-4-yl)carbonyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-3-methylbutanamide

889, N-{6,6-dimethyl-5-[(1-methylpiperidin-4-yl)carbonyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-3-methylbutanamide (C19 H31 N5 O2, 361.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
889
Formula
C19 H31 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

889 in 2 structures; the first of them:

  • 2WPA · Optimisation of 6,6-Dimethyl Pyrrolo 3,4-c pyrazoles: Identification of PHA-793887, a… · 889 A1301 · binds ILE10, TYR15, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81 and 10 more
  • 2WPA · Optimisation of 6,6-dimethyl pyrrolo 3,4-C pyrazoles: identification of pha-793887, a… · 889 A1301 · binds ILE10, TYR15, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81 and 10 more

Residues it binds most

ASP 4, GLN 4, LEU 4, LYS 4, PHE 4, VAL 4, ALA 4, ASN 4, GLU 4, HIS 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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