Binding information for 1c4v_ligand_3_53.mol2(FDBF00268)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1c4v_ligand_3_53.mol2 | 1c4v | 0.433628 | -7.81 | C(c1ccccc1)Cn1c(=O)n2n(C[C@@H](CC2)C)c1=O | 20 |
Structure and binding mode of 1c4v_ligand_3_53.mol2(FDBF00268)
Important binding residues for 1c4v_ligand_3_53.mol2(FDBF00268)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1c4v | TYR60A | -1.72 | -0.22 | -1.94 | 1.10 | -0.84 |
| 1c4v | TRP60D | -1.44 | -0.86 | -2.3 | 1.66 | -0.64 |
| 1c4v | ASN98 | -0.64 | -0.19 | -0.83 | 0.37 | -0.45 |
| 1c4v | LEU99 | -2.31 | 0.03 | -2.28 | -0.01 | -2.29 |
| 1c4v | ILE174 | -1.04 | -0.08 | -1.12 | -0.09 | -1.20 |
