Binding information for 4cmt_ligand_2_9.mol2(FDBF00266)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4cmt_ligand_2_9.mol2 | 4cmt | 0.714286 | -6.38 | O[C@H](C)c1cccc(c1)F | 10 |
Structure and binding mode of 4cmt_ligand_2_9.mol2(FDBF00266)
Important binding residues for 4cmt_ligand_2_9.mol2(FDBF00266)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4cmt | VAL1130 | -0.81 | 0.20 | -0.61 | -0.31 | -0.93 |
| 4cmt | LEU1196 | -0.61 | 0.13 | -0.48 | -0.12 | -0.60 |
| 4cmt | ASP1203 | -0.47 | 0.04 | -0.43 | 0.05 | -0.38 |
| 4cmt | ASN1254 | -0.68 | 0.17 | -0.51 | 0.14 | -0.37 |
| 4cmt | LEU1256 | -1.30 | -0.17 | -1.47 | -0.01 | -1.48 |
| 4cmt | GLY1269 | -0.49 | -1.23 | -1.72 | 1.28 | -0.43 |
