Info
| ID | 3676 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 6, "P": 1} |
| Abbreviation | Ru2 |
| SMILES | O=C1N[C@H]2CSC(CCCCC(=O)OCc3ccnc(-c4cc(COC(=O)CCCCC5SC[C@H]6NC(=O)N[C@@H]56)ccn4)c3)[C@H]2N1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C55H60N6O6PRuS2/(1-62)(2-61)(3-63)(4-64)(5-66)(6-67)(7-65)(8-112)(9-71)(10-68)(11-112)(12-72)(13-77)(14-69)(15-99)(16-70)(17-81)(18-75)(19-74)(20-114)(21-73)(22-82)(23-100)(24-76)(25-86)(26-87)(27-85)(28-88)(29-113)(30-113)(31-102)(32-87)(33-85)(34-115)(35-88)(36-86)(37-103)(38-103)(39-78)(40-79)(41-104)(42-95)(43-90)(44-89)(45-84)(46-83)(47-80)(48-92)(49-90)(50-92)(51-101)(52-91)(53-104)(54-91)(55-96)(56-89)(57-116)(58-117)(59-118)(60-119)(61-62)(61-68)(62-109)(63-68)(63-69)(64-65)(64-71)(65-72)(66-70)(66-77)(67-74)(67-77)(69-109)(70-110)(71-73)(72-73)(74-110)(75-76)(75-81)(76-111)(78-93)(78-97)(79-93)(79-95)(80-94)(80-96)(81-82)(82-83)(83-111)(84-94)(84-98)(85-87)(85-114)(86-88)(86-107)(87-88)(89-92)(89-115)(90-91)(90-108)(91-92)(93-103)(94-104)(95-120)(96-121)(97-98)(97-120)(98-121)(99-100)(99-114)(99-116)(100-112)(100-117)(101-102)(101-115)(101-118)(102-113)(102-119)(103-126)(104-127)(105-116)(105-117)(105-123)(106-118)(106-119)(106-124)(107-122)(107-126)(108-125)(108-127)(109-128)(110-128)(111-128)(112-129)(113-130)(114-129)(115-130)(120-131)(121-131)(126-131)(127-131)(128-131)(129-131)(130-131)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 12 | — | 10.1016/j.ejmech.2018.12.022 | 2019 |
| MCF-7 | 32 | — | 10.1016/j.ejmech.2018.12.022 | 2019 |
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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.