home← all complexes D-MPNN

Complex #123 — Ru(2) [Ru3]

2D Structure

Structure
⬇ MOL V3000

Info

ID123
MetalRu
Oxidation state2
Charge1
Donor atoms{"O": 1, "N": 2, "P": 2}
AbbreviationRu3
SMILESCOc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(O)c(OC)c2)ccc1O.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C67H57N2O6P2Ru/(1-61)(2-64)(3-63)(4-58)(5-66)(6-59)(7-74)(8-60)(9-67)(10-62)(11-76)(12-65)(13-75)(14-81)(15-112)(16-104)(17-112)(18-93)(19-103)(20-97)(21-107)(22-70)(23-87)(24-78)(25-112)(26-71)(27-80)(28-86)(29-73)(30-68)(31-77)(32-88)(33-84)(34-79)(35-82)(36-69)(37-72)(38-111)(39-83)(40-85)(41-92)(42-90)(43-89)(44-101)(45-94)(46-99)(47-91)(48-108)(49-98)(50-100)(51-111)(52-95)(53-96)(54-102)(55-111)(56-129)(57-130)(58-61)(58-119)(59-64)(59-119)(60-66)(60-120)(61-63)(62-74)(62-120)(63-64)(65-75)(65-121)(66-67)(67-74)(68-71)(68-109)(69-82)(69-105)(70-71)(70-107)(72-106)(72-115)(73-78)(73-121)(75-76)(76-78)(77-80)(77-122)(79-86)(79-122)(80-87)(81-93)(81-114)(82-113)(83-84)(83-94)(84-110)(85-88)(85-123)(86-87)(88-89)(89-92)(90-92)(90-123)(91-99)(91-124)(93-105)(94-108)(95-96)(95-116)(96-106)(97-105)(97-117)(98-100)(98-124)(99-101)(100-101)(102-104)(102-106)(103-114)(103-118)(104-118)(107-125)(108-126)(109-110)(109-125)(110-126)(111-131)(112-132)(113-117)(113-129)(114-128)(115-116)(115-131)(116-130)(117-132)(118-127)(119-133)(120-133)(121-133)(122-134)(123-134)(124-134)(125-135)(126-135)(130-135)(131-135)(132-135)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A2780cisR0.82 10.1098/rsos.240353 2024
MCF-10A6.4 10.1098/rsos.240353 2024
MDA-MB-2316.8 10.1098/rsos.240353 2024
MCF-714 10.1098/rsos.240353 2024
A549 10.1098/rsos.240353 2024
MRC-5 10.1098/rsos.240353 2024