PDB ligand accession: 0LI
DrugBank: DB08901
InChI Key: PHXJVRSECIGDHY-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Anilides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P11274 | Download | Predicted | P11274_F1_nD6 P11274_F1_nD3 P11274_F1_nD5 | GTPase activation domain, GAP PH domain-like Immunoglobulin-like beta-sandwich |
1K1F | Predicted | e1k1fF1 e1k1fA1 e1k1fB1 e1k1fC1 e1k1fD1 e1k1fH1 e1k1fE1 e1k1fG1 | ||
5N6R | Predicted | e5n6rA1 | ||
5N7E | Predicted | e5n7eB1 | ||
5OC7 | Predicted | e5oc7D1 e5oc7A1 |