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Ligand · RO1

RO1 · (3s,4as,8as)-N-(tert-butyl)-2-[(3S)-3-({3-(methylsulfonyl)-N-[(pyridin-3-yloxy)acetyl]-L-valyl}amino)-2-oxo-4-phenylbutyl]decahydroisoquinoline-3-carboxamide

RO1, (3s,4as,8as)-N-(tert-butyl)-2-[(3S)-3-({3-(methylsulfonyl)-N-[(pyridin-3-yloxy)acetyl]-L-valyl}amino)-2-oxo-4-phenylbutyl]decahydroisoquinoline-3-carboxamide (C37 H53 N5 O7 S, 711.9 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
RO1
Formula
C37 H53 N5 O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

RO1 in 2 structures; the first of them:

  • 2F3K · Substrate envelope and drug resistance: crystal structure of r01 in complex with… · RO1 A506 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 2F3K · Substrate envelope and drug resistance: crystal structure of R01 in complex with… · RO1 A506 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more

Residues it binds most

ASP 2, GLY 2, ILE 2, VAL 2, LEU 2, ALA 2, PRO 2, ARG 2, THR 2 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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