Info
| ID | 4768 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 4, "O": 1, "P": 2} |
| Abbreviation | [Ru(L-Trp-H)(dppb)(4'-MeObipy)]PF₆ (4) |
| SMILES | COc1ccnc(-c2cc(OC)ccn2)c1.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C51H51N4O4P2Ru/(1-80)(2-53)(3-97)(4-59)(5-61)(6-80)(7-97)(8-98)(9-52)(10-81)(11-60)(12-63)(13-92)(14-92)(15-92)(16-77)(17-54)(18-81)(19-58)(20-62)(21-98)(22-69)(23-67)(24-64)(25-87)(26-57)(27-68)(28-70)(29-72)(30-71)(31-74)(32-75)(33-65)(34-73)(35-55)(36-76)(37-56)(38-66)(39-82)(40-82)(41-91)(42-93)(43-93)(44-78)(45-85)(46-79)(47-93)(48-86)(49-103)(50-104)(51-103)(52-53)(52-54)(53-99)(54-60)(55-57)(55-65)(56-65)(56-83)(57-88)(58-62)(58-64)(59-60)(59-99)(61-62)(61-100)(63-64)(63-100)(66-89)(66-94)(67-68)(67-70)(68-69)(69-101)(70-74)(71-72)(71-75)(72-73)(73-76)(74-101)(75-102)(76-102)(77-85)(77-94)(78-90)(78-95)(79-86)(79-95)(80-81)(80-97)(81-98)(82-84)(82-91)(83-84)(83-88)(84-87)(85-105)(86-106)(87-104)(88-104)(89-90)(89-105)(90-106)(91-96)(91-103)(92-109)(93-110)(94-109)(95-110)(96-107)(96-108)(97-111)(98-112)(99-111)(100-111)(101-112)(102-112)(105-113)(106-113)(109-113)(110-113)(111-113)(112-113)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 0.2 | — | 10.1016/j.jinorgbio.2017.12.01... | 2018 |
| MCF-10A | 1.7 | — | 10.1016/j.jinorgbio.2017.12.01... | 2018 |
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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