Ligand |
||
 | ||
| Ligand Name: (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid | ||
| HET ID: B65 | PubChem: 24748047 | |
| DrugBank: DB07420 | ChEMBL: CHEMBL1207949 | |
| Canonical SMILES: OP(=O)([C@H](S(=O)(=O)O)CCCc1cccc(c1)Oc1ccccc1)O | ||
| Standard InChI: InChI=1S/C16H19O7PS/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22)/t16-/m1/s1 | ||
| Molecular Formula: C16H19O7PS | Mol. Weight: 386.35663 | Heavy Atoms: 25 |
| Charge: 0 | Is Chiral: True | logP: 4.274 |
| HBD: 3 | HBA: 7 | TPSA: 139.32 |
| #Bonds: 27 | #Rotatable Bonds: 8 | Shape Complexity: 0.25 |
| Stereocomplexity: 0.0625 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |