Ligand |
||
 | ||
| Ligand Name: SEROTONIN | ||
| HET ID: SRO | PubChem: 5202 | |
| DrugBank: DB08839 | ChEMBL: CHEMBL39 | |
| Canonical SMILES: NCCc1c[nH]c2c1cc(O)cc2 | ||
| Standard InChI: InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | ||
| Molecular Formula: C10H12N2O | Mol. Weight: 176.21507 | Heavy Atoms: 13 |
| Charge: 0 | Is Chiral: False | logP: 2.075 |
| HBD: 3 | HBA: 2 | TPSA: 62.04 |
| #Bonds: 15 | #Rotatable Bonds: 2 | Shape Complexity: 0.2 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | Kd : 693000 nM |
| Binding MOAD | Kd : 693000 nM |