Info
| ID | 1730 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | plecstatin-1 |
| SMILES | Cc1ccc(C(C)C)cc1.Fc1ccc(NC(=S)c2ccccn2)cc1.[Cl-] |
TUCAN
C22ClFN2RuS/(1-17)(2-16)(3-17)(4-7)(4-19)(5-8)(5-15)(6-9)(6-20)(7-21)(8-16)(9-12)(10-14)(10-19)(11-13)(11-16)(12-18)(13-15)(14-21)(15-17)(18-24)(19-23)(20-22)(20-24)(21-25)(22-23)(22-26)
Measurements (8)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| CH-1 | 4 | — | 10.1002/anie.201702242 | 2017 |
| SW480 | 4 | — | 10.1002/anie.201702242 | 2017 |
| HCT-116 | 6.5 | — | 10.1016/j.jinorgbio.2017.08.03... | 2017 |
| SiHa | 8.3 | — | 10.1016/j.jinorgbio.2017.08.03... | 2017 |
| SW480 | 9.9 | — | 10.1016/j.jinorgbio.2017.08.03... | 2017 |
| HCT-116 | 10 | — | 10.1002/anie.201702242 | 2017 |
| NCI-H460 | 10 | — | 10.1016/j.jinorgbio.2017.08.03... | 2017 |
| A549 | 14 | — | 10.1002/anie.201702242 | 2017 |
Source-assisted 2D generator
Builds the drawing from source ligand graphs and explicit donor metadata, then uses Metal2D only for layout. Publication output uses black bonds without arrows or colour highlighting; validated octahedral enantiomers are encoded directly with solid and hashed wedge bonds.
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