PDB ligand accession: n/a
DrugBank: DB15685
InChI Key:
SMILES: COC1=NC=C(CN2C3CC2CN(C3)C2=CC=C(C=N2)C2=CC(OCC(C)(C)O)=CN3N=CC(C#N)=C23)C=C1
Drug action: inhibitor
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P17948 | Download | Predicted | P17948_F1_nD5 P17948_F1_nD4 P17948_F1_nD8 P17948_F1_nD1 P17948_F1_nD2 P17948_F1_nD3 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich |
1FLT | Predicted | e1fltX1 e1fltY1 | ||
1QSV | Predicted | e1qsvA1 | ||
1QSZ | Predicted | e1qszA1 | ||
1QTY | Predicted | e1qtyT1 e1qtyU1 e1qtyX1 e1qtyY1 | ||
1RV6 | Predicted | e1rv6X1 e1rv6Y1 | ||
2XAC | Predicted | e2xacC1 e2xacX1 | ||
3HNG | Predicted | e3hngA1 | ||
4CKV | Predicted | e4ckvX1 | ||
4CL7 | Predicted | e4cl7A1 e4cl7B1 e4cl7C1 e4cl7D1 | ||
5ABD | Predicted | e5abdI1 e5abdE1 e5abdX1 | ||
5T89 | Predicted | e5t89X3 e5t89Y3 e5t89Y5 e5t89X5 e5t89X1 e5t89Y1 e5t89X4 e5t89Y4 e5t89Y2 e5t89X2 |