Ligand |
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| Ligand Name: fluorescein isothiocyanate | ||
| Canonical SMILES: Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3cc(ccc23)N=C=S)c1 | ||
| Standard InChI: InChI=1S/C21H11NO5S/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21/h1-9,23-24H | ||
| HET Code: 6B9 | PubChem: 18730 | |
| DrugBank: - | ChEMBL: CHEMBL516313 | |
| Molecular Formula: C21H11NO5S | Mol. Weight: 389.0358 | logP: 4.4001 |
| HBD: 2 | HBA: 7 | |
| #Rotatable Bonds: 1 | TPSA: 88.35 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Addition to a Double Bond | PRO 1 | A | 24.43 | - | Isothiocyanate |  |
Binding Affinity |
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