Info
| ID | 3054 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 2, "P": 2} |
| Abbreviation | 1 |
| SMILES | O=C1C=C([O-])C(=O)c2ccccc21.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C56H43N2O3P2Ru/(1-49)(2-44)(3-53)(4-45)(5-52)(6-46)(7-54)(8-47)(9-60)(10-50)(11-51)(12-62)(13-59)(14-61)(15-65)(16-66)(17-63)(18-71)(19-64)(20-73)(21-68)(22-67)(23-75)(24-74)(25-87)(26-88)(27-83)(28-84)(29-55)(30-78)(31-80)(32-76)(33-77)(34-79)(35-81)(36-56)(37-58)(38-48)(39-82)(40-69)(41-70)(42-72)(43-57)(44-46)(44-49)(45-47)(45-49)(46-94)(47-94)(48-58)(48-89)(50-52)(50-95)(51-54)(51-95)(52-53)(53-54)(55-58)(55-87)(56-57)(56-84)(57-85)(59-60)(59-96)(60-62)(61-62)(61-65)(63-64)(63-66)(64-71)(65-96)(66-97)(67-71)(67-97)(68-73)(68-74)(69-70)(69-72)(70-88)(72-90)(73-75)(74-76)(75-98)(76-98)(77-78)(77-99)(78-81)(79-80)(79-99)(80-81)(82-92)(82-93)(83-84)(83-86)(85-86)(85-91)(86-93)(87-100)(88-101)(89-90)(89-100)(90-101)(91-92)(91-102)(92-103)(93-104)(94-105)(95-105)(96-105)(97-106)(98-106)(99-106)(100-107)(101-107)(105-107)(106-107)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| DU-145 | 0.15 | — | 10.1016/j.jinorgbio.2017.08.01... | 2017 |
| A549 | 0.2 | — | 10.1016/j.jinorgbio.2017.08.01... | 2017 |
| MCF-7 | 0.41 | — | 10.1016/j.jinorgbio.2017.08.01... | 2017 |
| MRC-5 | 0.98 | — | 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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