GL1X · GenesisL1 explorer

Ligand · 96V

96V · N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

96V, N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (C26 H32 N4 O2, 432.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
96V
Formula
C26 H32 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

96V in 2 structures; the first of them:

  • 5V84 · CECR2 in complex with Cpd6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1-phenylethyl)piperidin-4-yl)… · 96V A602 · binds TRP457, PRO458, PHE459, VAL463, ASP464, TYR467, ALA468, TYR471 and 11 more
  • 5V84 · CECR2 in complex with CPD6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1… · 96V A602 · binds TRP457, PRO458, PHE459, VAL463, ASP464, TYR467, ALA468, TYR471 and 11 more

Residues it binds most

TYR 8, PHE 8, VAL 8, ALA 8, ASN 8, CYS 8, PRO 8, TRP 8, ASP 7, MET 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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