Ligand |
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| Ligand Name: SNAP-Vista Green™ reagent | ||
| Canonical SMILES: Nc1nc(OCc2ccc(CNC(=O)c3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc2)c2nc[nH]c2n1 | ||
| Standard InChI: InChI=1S/C34H24N6O7/c35-34-39-30-29(37-16-38-30)32(40-34)46-15-18-3-1-17(2-4-18)14-36-31(43)19-5-8-22(25(11-19)33(44)45)28-23-9-6-20(41)12-26(23)47-27-13-21(42)7-10-24(27)28/h1-13,16,41H,14-15H2,(H,36,43)(H,44,45)(H3,35,37,38,39,40) | ||
| HET Code: ETW | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C34H24N6O7 | Mol. Weight: 628.17065 | logP: 4.7261 |
| HBD: 5 | HBA: 10 | |
| #Rotatable Bonds: 8 | TPSA: 206.55 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Aliphatic Subsititution | CYS 119 | A | 20.28 | 12.22 | Allyl Vinyl Ether |  |
Binding Affinity |
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