PDB ligand accession: AYA
DrugBank: DB02518
InChI Key: KTHDTJVBEPMMGL-VKHMYHEASA-N
SMILES: CC(C(=O)O)NC(=O)C
Drug action: inhibitor
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 |
|---|---|---|---|---|
| P15121 | Download | Predicted | P15121_F1_nD1 | TIM beta/alpha-barrel |
| 1ABN | Predicted | e1abnA1 | ||
| 1ADS | Predicted | e1adsA1 | ||
| 1AZ1 | Predicted | e1az1A1 | ||
| 1AZ2 | Predicted | e1az2A1 | ||
| 1EF3 | Predicted | e1ef3B1 e1ef3A1 | ||
| 1EL3 | Predicted | e1el3A1 | ||
| 1IEI | Predicted | e1ieiA1 | ||
| 1MAR | Predicted | e1marA1 | ||
| 1PWL | Predicted | e1pwlA1 | ||
| 1PWM | Predicted | e1pwmA1 | ||
| 1T40 | Predicted | e1t40A1 | ||
| 1T41 | Predicted | e1t41A1 | ||
| 1US0 | Predicted | e1us0A1 | ||
| 1X96 | Predicted | e1x96A1 | ||
| 1X97 | Predicted | e1x97A1 | ||
| 1X98 | Predicted | e1x98A1 | ||
| 1XGD | Predicted | e1xgdA1 | ||
| 1Z3N | Predicted | e1z3nA1 | ||
| 1Z89 | Predicted | e1z89A1 | ||
| 1Z8A | Predicted | e1z8aA1 | ||
| 2ACQ | Predicted | e2acqA1 | ||
| 2ACR | Predicted | e2acrA1 | ||
| 2ACS | Predicted | e2acsA1 | ||
| 2ACU | Predicted | e2acuA1 | ||
| 2AGT | Predicted | e2agtA1 | ||
| 2DUX | Predicted | e2duxA1 | ||
| 2DUZ | Predicted | e2duzA1 | ||
| 2DV0 | Predicted | e2dv0A1 | ||
| 2F2K | Predicted | e2f2kA1 | ||
| 2FZ8 | Predicted | e2fz8A1 | ||
| 2FZ9 | Predicted | e2fz9A1 | ||
| 2FZB | Predicted | e2fzbA1 | ||
| 2FZD | Predicted | e2fzdA1 | ||
| 2HV5 | Predicted | e2hv5A1 | ||
| 2HVN | Predicted | e2hvnA1 | ||
| 2HVO | Predicted | e2hvoA1 | ||
| 2I16 | Predicted | e2i16A1 | ||
| 2I17 | Predicted | e2i17A1 | ||
| 2IKG | Predicted | e2ikgA1 | ||
| 2IKH | Predicted | e2ikhA1 | ||
| 2IKI | Predicted | e2ikiA1 | ||
| 2IKJ | Predicted | e2ikjA1 | ||
| 2INE | Predicted | e2ineA1 | ||
| 2INZ | Predicted | e2inzA1 | ||
| 2IPW | Predicted | e2ipwA1 | ||
| 2IQ0 | Predicted | e2iq0A1 | ||
| 2IQD | Predicted | e2iqdA1 | ||
| 2IS7 | Predicted | e2is7A1 | ||
| 2ISF | Predicted | e2isfA1 | ||
| 2J8T | Predicted | e2j8tA1 | ||
| 2NVC | Predicted | e2nvcA1 | ||
| 2NVD | Predicted | e2nvdA1 | ||
| 2PD5 | Predicted | e2pd5A1 | ||
| 2PD9 | Predicted | e2pd9A1 | ||
| 2PDB | Predicted | e2pdbA1 | ||
| 2PDC | Predicted | e2pdcA1 | ||
| 2PDF | Predicted | e2pdfA1 | ||
| 2PDG | Predicted | e2pdgA1 | ||
| 2PDH | Predicted | e2pdhA1 | ||
| 2PDI | Predicted | e2pdiA1 | ||
| 2PDJ | Predicted | e2pdjA1 | ||
| 2PDK | Predicted | e2pdkA1 | ||
| 2PDL | Predicted | e2pdlA1 | ||
| 2PDM | Predicted | e2pdmA1 | ||
| 2PDN | Predicted | e2pdnA1 | ||
| 2PDP | Predicted | e2pdpA1 | ||
| 2PDQ | Predicted | e2pdqA1 | ||
| 2PDU | Predicted | e2pduA1 | ||
| 2PDW | Predicted | e2pdwA1 | ||
| 2PDX | Predicted | e2pdxA1 | ||
| 2PDY | Predicted | e2pdyA1 | ||
| 2PEV | Predicted | e2pevA1 | ||
| 2PF8 | Predicted | e2pf8A1 | ||
| 2PFH | Predicted | e2pfhA1 | ||
| 2PZN | Predicted | e2pznA1 | ||
| 2QXW | Predicted | e2qxwA1 | ||
| 2R24 | Predicted | e2r24A1 | ||
| 3BCJ | Predicted | e3bcjA1 | ||
| 3DN5 | Predicted | e3dn5A1 | ||
| 3G5E | Predicted | e3g5eA1 | ||
| 3GHR | Predicted | e3ghrA1 | ||
| 3GHS | Predicted | e3ghsA1 | ||
| 3GHT | Predicted | e3ghtA1 | ||
| 3GHU | Predicted | e3ghuA1 | ||
| 3LBO | Predicted | e3lboA1 | ||
| 3LD5 | Predicted | e3ld5A1 | ||
| 3LEN | Predicted | e3lenA1 | ||
| 3LEP | Predicted | e3lepA1 | ||
| 3LQG | Predicted | e3lqgA1 | ||
| 3LQL | Predicted | e3lqlA1 | ||
| 3LZ3 | Predicted | e3lz3A1 | ||
| 3LZ5 | Predicted | e3lz5A1 | ||
| 3M0I | Predicted | e3m0iA1 | ||
| 3M4H | Predicted | e3m4hA1 | ||
| 3M64 | Predicted | e3m64A1 | ||
| 3MB9 | Predicted | e3mb9A1 | ||
| 3MC5 | Predicted | e3mc5A1 | ||
| 3ONB | Predicted | e3onbA1 | ||
| 3ONC | Predicted | e3oncA1 | ||
| 3P2V | Predicted | e3p2vA1 | ||
| 3Q65 | Predicted | e3q65A1 e3q65B1 | ||
| 3Q67 | Predicted | e3q67A1 e3q67B1 | ||
| 3RX2 | Predicted | e3rx2A1 | ||
| 3RX3 | Predicted | e3rx3A1 | ||
| 3RX4 | Predicted | e3rx4A1 | ||
| 3S3G | Predicted | e3s3gA1 | ||
| 3T42 | Predicted | e3t42A1 | ||
| 3U2C | Predicted | e3u2cA1 | ||
| 3V35 | Predicted | e3v35A1 | ||
| 3V36 | Predicted | e3v36A1 | ||
| 4GCA | Predicted | e4gcaA1 | ||
| 4IGS | Predicted | e4igsA1 | ||
| 4JIR | Predicted | e4jirA1 | ||
| 4LAU | Predicted | e4lauA1 | ||
| 4LAZ | Predicted | e4lazA1 | ||
| 4LB3 | Predicted | e4lb3A1 | ||
| 4LB4 | Predicted | e4lb4A1 | ||
| 4LBR | Predicted | e4lbrA1 | ||
| 4LBS | Predicted | e4lbsA1 | ||
| 4NKC | Predicted | e4nkcA1 | ||
| 4PR4 | Predicted | e4pr4A1 | ||
| 4PRR | Predicted | e4prrA1 | ||
| 4PRT | Predicted | e4prtA1 | ||
| 4PUU | Predicted | e4puuA1 | ||
| 4PUW | Predicted | e4puwA1 | ||
| 4Q7B | Predicted | e4q7bA1 | ||
| 4QBX | Predicted | e4qbxA1 | ||
| 4QR6 | Predicted | e4qr6A1 | ||
| 4QX4 | Predicted | e4qx4A1 | ||
| 4QXI | Predicted | e4qxiA1 | ||
| 4RPQ | Predicted | e4rpqA1 | ||
| 4XZH | Predicted | e4xzhA1 e4xzhB1 | ||
| 4XZI | Predicted | e4xziA1 | ||
| 4YS1 | Predicted | e4ys1A1 | ||
| 4YU1 | Predicted | e4yu1A1 | ||
| 5HA7 | Predicted | e5ha7A1 e5ha7B1 | ||
| 5OU0 | Predicted | e5ou0A1 | ||
| 5OUJ | Predicted | e5oujA1 | ||
| 5OUK | Predicted | e5oukA1 | ||
| 6F7R | Predicted | e6f7rA1 | ||
| 6F81 | Predicted | e6f81A1 | ||
| 6F82 | Predicted | e6f82A1 | ||
| 6F84 | Predicted | e6f84A1 | ||
| 6F8O | Predicted | e6f8oA1 |