Binding information for 2c1p_ligand_1_2.mol2(FDBF00265)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c1p_ligand_1_2.mol2 | 2c1p | 0.558824 | -5.48 | c1[nH][n+](cn1)C | 6 |
Structure and binding mode of 2c1p_ligand_1_2.mol2(FDBF00265)
Important binding residues for 2c1p_ligand_1_2.mol2(FDBF00265)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2c1p | TRP33 | -1.10 | -0.28 | -1.38 | 0.59 | -0.78 |
| 2c1p | ASN35 | -0.67 | -3.30 | -3.97 | 2.17 | -1.80 |
| 2c1p | TRP47 | -0.34 | -0.12 | -0.46 | 0.09 | -0.38 |
| 2c1p | MET50 | -0.84 | -0.16 | -1 | 0.38 | -0.62 |
