home← all complexes D-MPNN

Complex #620 — Ru(2) [LCR134]

2D Structure

Structure
⬇ MOL V3000

Info

ID620
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 6, "P": 1}
AbbreviationLCR134
SMILESO=C1N[C@@H]2[C@@H](CS[C@@H]2CCCCC(=O)OCc2ccnc(-c3cc(COC(=O)CCCC[C@H]4SC[C@H]5NC(=O)N[C@H]54)ccn3)c2)N1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C55H60N6O6PRuS2/(1-62)(2-69)(3-61)(4-64)(5-63)(6-66)(7-65)(8-114)(9-71)(10-68)(11-112)(12-72)(13-77)(14-70)(15-79)(16-74)(17-81)(18-67)(19-76)(20-85)(21-73)(22-75)(23-112)(24-82)(25-88)(26-85)(27-92)(28-86)(29-113)(30-99)(31-100)(32-86)(33-115)(34-113)(35-87)(36-88)(37-87)(38-84)(39-95)(40-103)(41-103)(42-78)(43-89)(44-92)(45-96)(46-83)(47-102)(48-91)(49-104)(50-90)(51-90)(52-104)(53-89)(54-101)(55-80)(56-91)(57-116)(58-117)(59-119)(60-118)(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)(78-95)(79-93)(79-97)(80-94)(80-96)(81-82)(82-83)(83-111)(84-94)(84-98)(85-86)(85-114)(86-87)(87-88)(88-107)(89-90)(89-108)(90-91)(91-92)(92-115)(93-103)(94-104)(95-120)(96-121)(97-98)(97-120)(98-121)(99-100)(99-112)(99-116)(100-114)(100-117)(101-102)(101-113)(101-118)(102-115)(102-119)(103-126)(104-127)(105-116)(105-117)(105-122)(106-118)(106-119)(106-124)(107-123)(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 (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-70.61 10.1016/j.jinorgbio.2023.11243... 2024
MDA-MB-2314.2 10.1016/j.jinorgbio.2023.11243... 2024
V7921 10.1016/j.jinorgbio.2023.11243... 2024