PDB ligand accession: TEI
DrugBank: DB04854
InChI Key: BQSJTQLCZDPROO-UHFFFAOYSA-N
SMILES: Cc1c(sc(n1)c2ccc(c(c2)C#N)OCC(C)C)C(=O)O
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Thiazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P47989 | Download | Predicted | P47989_F1_nD5 P47989_F1_nD2 P47989_F1_nD4 P47989_F1_nD1 P47989_F1_nD3 | MocoBD/DmpA-related FAD-binding domain-like FAD-linked reductases, C-terminal domain-like beta-Grasp alpha/beta-Hammerhead/Barrel-sandwich hybrid |
2CKJ | Predicted | e2ckjA5 e2ckjB6 e2ckjC6 e2ckjD1 e2ckjA6 e2ckjB5 e2ckjC5 e2ckjD3 e2ckjA7 e2ckjB3 e2ckjC7 e2ckjD7 e2ckjA4 e2ckjB4 e2ckjC3 e2ckjD6 e2ckjD4 e2ckjB14 e2ckjA18 e2ckjC17 e2ckjB2 e2ckjC2 e2ckjD5 e2ckjA17 e2ckjA3 e2ckjB13 e2ckjC16 e2ckjD11 | ||
2E1Q | Predicted | e2e1qA1 e2e1qB1 e2e1qC1 e2e1qD1 e2e1qA3 e2e1qB3 e2e1qC3 e2e1qD3 e2e1qA4 e2e1qB6 e2e1qC4 e2e1qD2 e2e1qA7 e2e1qB4 e2e1qC7 e2e1qD7 e2e1qB14 e2e1qD14 e2e1qC17 e2e1qA14 e2e1qA5 e2e1qB5 e2e1qC5 e2e1qD5 e2e1qB13 e2e1qD13 e2e1qC16 e2e1qA13 |