PDB ligand accession: ML1
DrugBank: DB01065
InChI Key: DRLFMBDRBRZALE-UHFFFAOYSA-N
SMILES: CC(=O)NCCc1c[nH]c2c1cc(cc2)OC
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Indoles
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P05164 | Download | Predicted | P05164_F1_nD2 P05164_F1_nD1 | Heme-dependent peroxidases RRF/tRNA synthetase additional domain-like |
1CXP | Predicted | e1cxp.1 e1cxp.2 | ||
1D2V | Predicted | e1d2v.1 e1d2v.2 | ||
1D5L | Predicted | e1d5l.1 e1d5l.2 | ||
1D7W | Predicted | e1d7w.1 e1d7w.2 | ||
1DNU | Predicted | e1dnu.1 e1dnu.2 | ||
1DNW | Predicted | e1dnw.1 e1dnw.2 | ||
1MHL | Predicted | e1mhl.1 e1mhl.2 | ||
1MYP | Predicted | e1myp.1 e1myp.2 | ||
3F9P | Predicted | e3f9p.1 e3f9p.2 | ||
3ZS0 | Predicted | e3zs0.1 e3zs0.2 | ||
3ZS1 | Predicted | e3zs1.1 e3zs1.2 | ||
4C1M | Predicted | e4c1m.1 e4c1m.2 | ||
4DL1 | Predicted | e4dl1.1 e4dl1.2 e4dl1.3 e4dl1.4 e4dl1.5 e4dl1.6 e4dl1.8 e4dl1.9 | ||
4EJX | Predicted | e4ejx.1 | ||
5FIW | Predicted | e5fiw.1 e5fiw.2 | ||
5MFA | Predicted | e5mfaA1 | ||
5UZU | Predicted | e5uzuA1 | ||
6AZP | Predicted | e6azpA1 | ||
6BMT | Predicted | e6bmtA1 |