Info
| ID | 3057 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "P": 2, "N": 2} |
| Abbreviation | 4 |
| SMILES | O=C1C=C([O-])C(=O)c2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C58H43N2O3P2Ru/(1-44)(2-53)(3-45)(4-64)(5-46)(6-49)(7-47)(8-51)(9-48)(10-89)(11-60)(12-65)(13-50)(14-52)(15-54)(16-55)(17-56)(18-59)(19-57)(20-69)(21-70)(22-68)(23-73)(24-74)(25-62)(26-67)(27-58)(28-61)(29-63)(30-72)(31-79)(32-81)(33-71)(34-75)(35-76)(36-78)(37-66)(38-77)(39-80)(40-83)(41-90)(42-84)(43-82)(44-45)(44-85)(45-88)(46-47)(46-96)(47-53)(48-64)(48-89)(49-50)(49-96)(50-53)(51-54)(51-97)(52-56)(52-97)(54-60)(55-57)(55-98)(56-60)(57-65)(58-59)(58-65)(59-98)(61-77)(61-90)(62-63)(62-99)(63-68)(64-85)(66-94)(66-95)(67-71)(67-99)(68-71)(69-70)(69-87)(70-73)(72-75)(72-100)(73-74)(74-86)(75-78)(76-78)(76-79)(77-88)(79-100)(80-81)(80-84)(81-101)(82-83)(82-84)(83-101)(85-91)(86-87)(86-93)(87-95)(88-92)(89-102)(90-103)(91-92)(91-102)(92-103)(93-94)(93-104)(94-105)(95-106)(96-107)(97-107)(98-107)(99-108)(100-108)(101-108)(102-109)(103-109)(107-109)(108-109)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 0.13 | — | 10.1016/j.jinorgbio.2017.08.01... | 2017 |
| MCF-7 | 0.31 | — | 10.1016/j.jinorgbio.2017.08.01... | 2017 |
| MRC-5 | 0.56 | — | 10.1016/j.jinorgbio.2017.08.01... | 2017 |
| DU-145 | 1.9 | — | 10.1016/j.jinorgbio.2017.08.01... | 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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