PDB ligand accession: IPT
DrugBank: DB01862
PubChem:
ChEMBL:
InChI Key: BPHPUYQFMNQIOC-NXRLNHOXSA-N
SMILES: CC(C)SC1C(C(C(C(O1)CO)O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Carbohydrates and carbohydrate conjugates
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 3VDC | Download | Experimental | e3vdcA11 e3vdcA12 e3vdcA13 e3vdcB11 e3vdcB12 e3vdcB13 e3vdcC11 e3vdcC12 e3vdcC13 e3vdcD11 e3vdcD12 e3vdcD13 | TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll | LigPlot |
| 1PX4 | Download | Experimental | e1px4A1 e1px4A4 e1px4A5 e1px4B1 e1px4B4 e1px4B5 e1px4C1 e1px4C4 e1px4C5 e1px4D1 e1px4D4 e1px4D5 | jelly-roll Glycosyl hydrolase domain-like TIM beta/alpha-barrel jelly-roll Glycosyl hydrolase domain-like TIM beta/alpha-barrel jelly-roll Glycosyl hydrolase domain-like TIM beta/alpha-barrel jelly-roll Glycosyl hydrolase domain-like TIM beta/alpha-barrel | LigPlot |
| 3T08 | Download | Experimental | e3t08A11 e3t08A12 e3t08A13 e3t08B11 e3t08B12 e3t08B13 e3t08C11 e3t08C12 e3t08C13 e3t08D11 e3t08D12 e3t08D13 | TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll | LigPlot |
| 3VD4 | Download | Experimental | e3vd4A11 e3vd4A12 e3vd4A13 e3vd4B11 e3vd4B12 e3vd4B13 e3vd4C11 e3vd4C12 e3vd4C13 e3vd4D11 e3vd4D12 e3vd4D13 | TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll | LigPlot |
| 1JYX | Download | Experimental | e1jyxA2 e1jyxA3 e1jyxA5 e1jyxB1 e1jyxB4 e1jyxB5 e1jyxC1 e1jyxC4 e1jyxC5 e1jyxD2 e1jyxD3 e1jyxD5 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel jelly-roll Glycosyl hydrolase domain-like TIM beta/alpha-barrel jelly-roll Glycosyl hydrolase domain-like TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel | LigPlot |
| 3T2P | Download | Experimental | e3t2pA11 e3t2pA12 e3t2pA13 e3t2pB11 e3t2pB12 e3t2pB13 e3t2pC11 e3t2pC12 e3t2pC13 e3t2pD11 e3t2pD12 e3t2pD13 | TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll | LigPlot |
| 3DYO | Download | Experimental | e3dyoA2 e3dyoC2 e3dyoB2 e3dyoD2 e3dyoC5 e3dyoD5 e3dyoD2 e3dyoD3 e3dyoD5 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel | LigPlot |
| 3VD9 | Download | Experimental | e3vd9A11 e3vd9A12 e3vd9A13 e3vd9B11 e3vd9B12 e3vd9B13 e3vd9C11 e3vd9C12 e3vd9C13 e3vd9D11 e3vd9D12 e3vd9D13 | TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll | LigPlot |
| 3T0B | Download | Experimental | e3t0bA11 e3t0bA12 e3t0bA13 e3t0bB11 e3t0bB12 e3t0bB13 e3t0bC11 e3t0bC12 e3t0bC13 e3t0bD11 e3t0bD12 e3t0bD13 | TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like jelly-roll | LigPlot |