home← all complexes D-MPNN

Complex #4718 — Ru(2) [Ru1β]

2D Structure

Structure
⬇ MOL V3000

Info

ID4718
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 2, "P": 1}
AbbreviationRu1β
SMILESCc1ccc(C(C)C)cc1.O=C([O-])C(=O)[O-].O[C@@H]1C=C[C@H](Cc2ccccc2P(c2ccccc2)c2ccccc2)O[C@@H]1COCc1ccccc1

TUCAN

C44H45O7PRu/(1-71)(2-70)(3-49)(4-47)(5-54)(6-55)(7-47)(8-53)(9-51)(10-80)(11-52)(12-80)(13-81)(14-65)(15-59)(16-84)(17-60)(18-72)(19-63)(20-74)(21-81)(22-57)(23-82)(24-74)(25-83)(26-66)(27-67)(28-68)(29-50)(30-58)(31-64)(32-61)(33-62)(34-69)(35-56)(36-47)(37-48)(38-46)(39-48)(40-48)(41-46)(42-79)(43-73)(44-46)(45-95)(46-76)(47-79)(48-79)(49-52)(49-59)(50-53)(50-65)(51-52)(51-60)(53-75)(54-55)(54-76)(55-78)(56-73)(56-78)(57-61)(57-75)(58-62)(58-63)(59-87)(60-87)(61-65)(62-64)(63-89)(64-66)(66-89)(67-68)(67-83)(68-84)(69-70)(69-88)(70-71)(71-72)(72-77)(73-76)(74-77)(74-83)(75-80)(77-88)(78-79)(80-94)(81-82)(81-94)(82-84)(82-96)(83-96)(84-95)(85-86)(85-90)(85-91)(86-92)(86-93)(87-97)(88-97)(89-97)(95-98)(96-98)(97-98)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A2780cisR2.3 10.1016/j.bioorg.2022.105901 2022
A27803.7 10.1016/j.bioorg.2022.105901 2022
MCF-77.8 10.1016/j.bioorg.2022.105901 2022