Ligand name: RITONAVIR
PDB ligand accession: RIT
DrugBank: DB00503
PubChem: 392622
ChEMBL: CHEMBL163
InChI Key: NCDNCNXCDXHOMX-XGKFQTDJSA-N
SMILES: CC(C)c1nc(cs1)CN(C)C(=O)NC(C(C)C)C(=O)NC(Cc2ccccc2)CC(C(Cc3ccccc3)NC(=O)OCc4cncs4)O

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of proteins that are targets for RIT

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	O75469_RIT	O75469	Nuclear receptor subfamily	activator	EC50(nM) = 4000.0
2	P03367_RIT	P03367	Gag-Pol polyprotein (Pr160Gag-Pol)	n/a
3	P08684_RIT	P08684	Cytochrome P450 3A4	n/a	IC50(nM) = 130.0
4	P03369_RIT	P03369	Gag-Pol polyprotein (Pr160Gag-Pol)	n/a
5	P00791_RIT	P00791	Pepsin A (EC	n/a
6	P11838_RIT	P11838	Endothiapepsin (EC 3.4.23.22)	n/a
7	P28871_RIT	P28871	Secreted aspartic protease	n/a
8	Q9J006_RIT	Q9J006	Protease	n/a
9	P20815_RIT	P20815	Cytochrome P450 3A5	n/a
10	B8YPM3_RIT	B8YPM3	candidapepsin (EC 3.4.23.24)	n/a
11	Q7SMT3_RIT	Q7SMT3	Pol polyprotein	n/a
12	Q7SSI0_RIT	Q7SSI0	Protease	n/a
13	Q000H7_RIT	Q000H7	Pol protein	n/a
14	P12499_RIT	P12499	Gag-Pol polyprotein (Pr160Gag-Pol)	n/a
15	Q8I6V3_RIT	Q8I6V3	Plasmepsin II (EC	n/a