PDB ligand accession: BO2
DrugBank: DB00188
PubChem:
ChEMBL:
InChI Key: GXJABQQUPOEUTA-RDJZCZTQSA-N
SMILES: B(C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)c2cnccn2)(O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 4QVL | Download | Experimental | e4qvlH1 e4qvlI1 e4qvlH1 e4qvlN1 e4qvlV1 e4qvlW1 e4qvlV1 e4qvlb1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QWU | Download | Experimental | e4qwuH1 e4qwuI1 e4qwuH1 e4qwuN1 e4qwuV1 e4qwuW1 e4qwuV1 e4qwub1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QW1 | Download | Experimental | e4qw1H1 e4qw1I1 e4qw1H1 e4qw1N1 e4qw1V1 e4qw1W1 e4qw1V1 e4qw1b1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HWD | Download | Experimental | e6hwdH1 e6hwdI1 e6hwdH1 e6hwdN1 e6hwdV1 e6hwdW1 e6hwdV1 e6hwdb1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QVV | Download | Experimental | e4qvvH1 e4qvvI1 e4qvvH1 e4qvvN1 e4qvvV1 e4qvvW1 e4qvvV1 e4qvvb1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QVY | Download | Experimental | e4qvyH1 e4qvyI1 e4qvyH1 e4qvyN1 e4qvyV1 e4qvyW1 e4qvyV1 e4qvyb1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QVM | Download | Experimental | e4qvmH1 e4qvmI1 e4qvmH1 e4qvmN1 e4qvmV1 e4qvmW1 e4qvmV1 e4qvmb1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QW0 | Download | Experimental | e4qw0H1 e4qw0I1 e4qw0H1 e4qw0N1 e4qw0V1 e4qw0W1 e4qw0V1 e4qw0b1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QVQ | Download | Experimental | e4qvqH1 e4qvqI1 e4qvqH1 e4qvqN1 e4qvqV1 e4qvqW1 e4qvqV1 e4qvqb1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5L5Z | Download | Experimental | e5l5zH1 e5l5zI1 e5l5zH1 e5l5zN1 e5l5zV1 e5l5zW1 e5l5zV1 e5l5zb1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QVP | Download | Experimental | e4qvpH1 e4qvpI1 e4qvpH1 e4qvpN1 e4qvpV1 e4qvpW1 e4qvpV1 e4qvpb1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5L5F | Download | Experimental | e5l5fH1 e5l5fI1 e5l5fH1 e5l5fN1 e5l5fV1 e5l5fW1 e5l5fV1 e5l5fb1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5BXN | Download | Experimental | e5bxnH1 e5bxnI1 e5bxnH1 e5bxnN1 e5bxnV1 e5bxnW1 e5bxnV1 e5bxnb1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QVN | Download | Experimental | e4qvnH1 e4qvnI1 e4qvnH1 e4qvnN1 e4qvnV1 e4qvnW1 e4qvnV1 e4qvnb1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 2F16 | Download | Experimental | e2f16H1 e2f16I1 e2f16H1 e2f16V1 e2f16W1 e2f16V1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5CZ7 | Download | Experimental | e5cz7H1 e5cz7I1 e5cz7H1 e5cz7N1 e5cz7V1 e5cz7W1 e5cz7V1 e5cz7b1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QW3 | Download | Experimental | e4qw3H1 e4qw3I1 e4qw3H1 e4qw3N1 e4qw3V1 e4qw3W1 e4qw3V1 e4qw3b1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QVW | Download | Experimental | e4qvwH1 e4qvwI1 e4qvwH1 e4qvwN1 e4qvwV1 e4qvwW1 e4qvwV1 e4qvwb1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 3MG0 | Download | Experimental | e3mg0H1 e3mg0I1 e3mg0H1 e3mg0N1 e3mg0V1 e3mg0W1 e3mg0V1 e3mg021 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5L66 | Download | Experimental | e5l66H1 e5l66I1 e5l66H1 e5l66N1 e5l66V1 e5l66W1 e5l66V1 e5l66b1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5D0X | Download | Experimental | e5d0xH1 e5d0xI1 e5d0xH1 e5d0xN1 e5d0xV1 e5d0xW1 e5d0xV1 e5d0xb1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |