PDB ligand accession: C6F
DrugBank: DB12141
InChI Key: GYQYAJJFPNQOOW-UHFFFAOYSA-N
SMILES: CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Piperidines
- Subclass: Phenylpiperidines
- Class: Piperidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P30530 | Download | Predicted | P30530_F1_nD1 P30530_F1_nD2 P30530_F1_nD5 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp |
2C5D | Predicted | e2c5dC3 e2c5dD3 e2c5dC2 e2c5dD2 | ||
4RA0 | Predicted | e4ra0C1 e4ra0D1 e4ra0C2 e4ra0D2 | ||
5U6B | Predicted | e5u6bA1 e5u6bC1 e5u6bB1 e5u6bD1 | ||
5VXZ | Predicted | e5vxzC1 e5vxzD1 |