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Complex #1191 — Ru(2) [Ru-1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1191
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
AbbreviationRu-1
SMILESCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.O=C(O)CCCNC(=O)c1ccc2nc(-c3ccccn3)[nH]c2c1

TUCAN

C57H44N12O5Ru/(1-49)(2-96)(3-48)(4-58)(5-46)(6-52)(7-81)(8-59)(9-67)(10-96)(11-56)(12-60)(13-64)(14-96)(15-78)(16-47)(17-77)(18-81)(19-63)(20-50)(21-67)(22-51)(23-54)(24-80)(25-65)(26-97)(27-45)(28-76)(29-66)(30-97)(31-68)(32-55)(33-57)(34-62)(35-68)(36-97)(37-79)(38-61)(39-53)(40-106)(41-107)(42-105)(43-104)(44-116)(45-55)(45-76)(46-50)(46-77)(47-58)(47-86)(48-51)(48-78)(49-69)(49-89)(50-70)(51-72)(52-59)(52-98)(53-61)(53-75)(54-57)(54-80)(55-62)(56-60)(56-98)(57-73)(58-69)(59-71)(60-71)(61-79)(62-85)(63-64)(63-74)(64-99)(65-66)(65-74)(66-99)(67-68)(67-101)(68-81)(69-100)(70-82)(70-88)(71-94)(72-83)(72-87)(73-91)(73-92)(74-95)(75-84)(75-90)(76-108)(77-109)(78-102)(79-111)(80-103)(81-104)(82-87)(82-110)(83-88)(83-102)(84-91)(84-112)(85-93)(85-108)(86-89)(86-113)(87-106)(88-109)(89-105)(90-92)(90-111)(91-107)(92-103)(93-105)(93-113)(94-106)(94-110)(95-107)(95-112)(96-117)(97-118)(98-117)(99-118)(100-104)(100-115)(101-114)(101-116)(108-119)(109-119)(110-119)(111-119)(112-119)(113-119)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
CaSki5.1— 10.1016/j.biomaterials.2018.12... 2019
Ect1/E6E77.9— 10.1016/j.biomaterials.2018.12... 2019
SiHa13— 10.1016/j.biomaterials.2018.12... 2019
HeLa15— 10.1016/j.biomaterials.2018.12... 2019
MCF-724— 10.1016/j.biomaterials.2018.12... 2019
LO228— 10.1016/j.biomaterials.2018.12... 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.

experimental validation surface
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