Binding information for 1csi_ligand_3_965.mol2(FDBF00228)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1csi_ligand_3_965.mol2 | 1csi | 1 | -6.17 | CCNC(=O)C | 6 |
Structure and binding mode of 1csi_ligand_3_965.mol2(FDBF00228)
Important binding residues for 1csi_ligand_3_965.mol2(FDBF00228)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1csi | LEU273 | -1.33 | -0.90 | -2.23 | 1.77 | -0.46 |
| 1csi | ALA277 | -0.76 | 0.21 | -0.55 | -0.49 | -1.04 |
| 1csi | PRO316 | -0.58 | -1.11 | -1.69 | 0.45 | -1.23 |
| 1csi | GLY317 | -0.10 | -3.09 | -3.19 | 1.56 | -1.64 |
| 1csi | ASN373 | -1.06 | -2.15 | -3.21 | 0.93 | -2.28 |
