PDB ligand accession: CIT
DrugBank: DB04272
PubChem: 311;19782904;88113319;
ChEMBL:
InChI Key: KRKNYBCHXYNGOX-UHFFFAOYSA-N
SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Tricarboxylic acids and derivatives
- 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 |
|---|---|---|---|---|---|
| 6SYW | Download | Experimental | e6sywA1 | TIM beta/alpha-barrel | LigPlot |
| 3LBO | Download | Experimental | e3lboA1 | TIM beta/alpha-barrel | LigPlot |
| 6F7R | Download | Experimental | e6f7rA1 | TIM beta/alpha-barrel | LigPlot |
| 2PF8 | Download | Experimental | e2pf8A1 | TIM beta/alpha-barrel | LigPlot |
| 3GHS | Download | Experimental | e3ghsA1 | TIM beta/alpha-barrel | LigPlot |
| 2QXW | Download | Experimental | e2qxwA1 | TIM beta/alpha-barrel | LigPlot |
| 3LD5 | Download | Experimental | e3ld5A1 | TIM beta/alpha-barrel | LigPlot |
| 3M4H | Download | Experimental | e3m4hA1 | TIM beta/alpha-barrel | LigPlot |
| 6Y03 | Download | Experimental | e6y03A1 | TIM beta/alpha-barrel | LigPlot |
| 3ONC | Download | Experimental | e3oncA1 | TIM beta/alpha-barrel | LigPlot |
| 6F82 | Download | Experimental | e6f82A1 | TIM beta/alpha-barrel | LigPlot |
| 1US0 | Download | Experimental | e1us0A1 | TIM beta/alpha-barrel | LigPlot |
| 3LQL | Download | Experimental | e3lqlA1 | TIM beta/alpha-barrel | LigPlot |
| 8B66 | Download | Experimental | e8b66A1 | TIM beta/alpha-barrel | LigPlot |
| 8BJL | Download | Experimental | e8bjlA1 | TIM beta/alpha-barrel | LigPlot |
| 8B3N | Download | Experimental | e8b3nA1 | TIM beta/alpha-barrel | LigPlot |
| 2AGT | Download | Experimental | e2agtA1 | TIM beta/alpha-barrel | LigPlot |
| 2ACS | Download | Experimental | e2acsA1 | TIM beta/alpha-barrel | LigPlot |
| 3LZ5 | Download | Experimental | e3lz5A1 | TIM beta/alpha-barrel | LigPlot |
| 6F81 | Download | Experimental | e6f81A1 | TIM beta/alpha-barrel | LigPlot |
| 4QBX | Download | Experimental | e4qbxA1 | TIM beta/alpha-barrel | LigPlot |
| 6T5G | Download | Experimental | e6t5gA1 | TIM beta/alpha-barrel | LigPlot |
| 1X98 | Download | Experimental | e1x98A1 | TIM beta/alpha-barrel | LigPlot |
| 2ACU | Download | Experimental | e2acuA1 | TIM beta/alpha-barrel | LigPlot |
| 2PEV | Download | Experimental | e2pevA1 | TIM beta/alpha-barrel | LigPlot |
| 1AZ2 | Download | Experimental | e1az2A1 | TIM beta/alpha-barrel | LigPlot |
| 6TD8 | Download | Experimental | e6td8A1 | TIM beta/alpha-barrel | LigPlot |
| 6T27 | Download | Experimental | e6t27A1 | TIM beta/alpha-barrel | LigPlot |
| 8B3R | Download | Experimental | e8b3rA1 | TIM beta/alpha-barrel | LigPlot |
| 6TXP | Download | Experimental | e6txpA1 | TIM beta/alpha-barrel | LigPlot |
| 6F84 | Download | Experimental | e6f84A1 | TIM beta/alpha-barrel | LigPlot |
| 3BCJ | Download | Experimental | e3bcjA1 | TIM beta/alpha-barrel | LigPlot |
| 6T7Q | Download | Experimental | e6t7qA1 | TIM beta/alpha-barrel | LigPlot |
| 8AUU | Download | Experimental | e8auuA1 | TIM beta/alpha-barrel | LigPlot |
| 3LZ3 | Download | Experimental | e3lz3A1 | TIM beta/alpha-barrel | LigPlot |
| 6F8O | Download | Experimental | e6f8oA1 | TIM beta/alpha-barrel | LigPlot |
| 3U2C | Download | Experimental | e3u2cA1 | TIM beta/alpha-barrel | LigPlot |
| 8A4N | Download | Experimental | e8a4nA1 | TIM beta/alpha-barrel | LigPlot |
| 3GHT | Download | Experimental | e3ghtA1 | TIM beta/alpha-barrel | LigPlot |
| 2I17 | Download | Experimental | e2i17A1 | TIM beta/alpha-barrel | LigPlot |
| 3ONB | Download | Experimental | e3onbA1 | TIM beta/alpha-barrel | LigPlot |
| 6Y1P | Download | Experimental | e6y1pA1 | TIM beta/alpha-barrel | LigPlot |
| 6XUM | Download | Experimental | e6xumA1 | TIM beta/alpha-barrel | LigPlot |
| 6TUF | Download | Experimental | e6tufA1 | TIM beta/alpha-barrel | LigPlot |
| 6TUC | Download | Experimental | e6tucA1 | TIM beta/alpha-barrel | LigPlot |
| 1X96 | Download | Experimental | e1x96A1 | TIM beta/alpha-barrel | LigPlot |
| 3GHR | Download | Experimental | e3ghrA1 | TIM beta/alpha-barrel | LigPlot |
| 6T3P | Download | Experimental | e6t3pA1 | TIM beta/alpha-barrel | LigPlot |
| 3LEP | Download | Experimental | e3lepA1 | TIM beta/alpha-barrel | LigPlot |
| 2PFH | Download | Experimental | e2pfhA1 | TIM beta/alpha-barrel | LigPlot |
| 8AQG | Download | Experimental | e8aqgA1 | TIM beta/alpha-barrel | LigPlot |
| 8B34 | Download | Experimental | e8b34A1 | TIM beta/alpha-barrel | LigPlot |
| 3GHU | Download | Experimental | e3ghuA1 | TIM beta/alpha-barrel | LigPlot |
| 4PUW | Download | Experimental | e4puwA1 | TIM beta/alpha-barrel | LigPlot |
| 8AQP | Download | Experimental | e8aqpA1 | TIM beta/alpha-barrel | LigPlot |
| 2I16 | Download | Experimental | e2i16A1 | TIM beta/alpha-barrel | LigPlot |