Molecule | H-bonds | Bound amino acid residues | Binding affinity (kcal/mol) |
---|---|---|---|
| 2 | ASP-309, MET-374 | -9.5 |
Androstenedione (control inhibitor) | |||
| 02 | PHE-17, THR-147 | -5.8 |
6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin- 8(9Â h)-one (Control inhibitor) | |||
| 04 | LEU-103, TYR-104, SER-107, GLY-149 | -6.1 |
Compound 1 | |||
| 04 | THR-148, TYR-155, SER-164 | -6.7 |
Compound 8 | |||
| 06 | PHE-106, THR-147, THR-148, TYR-155, SER-164 | -7.3 |
Compound 9 | |||
| 03 | LEU-103, PHE-106, THR-147 | -7.7 |
Compound 10 |