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Complex #6880 — Rh(3) [GUPT4]

2D Structure

Structure
⬇ MOL V3000

Info

ID6880
MetalRh
Oxidation state3
Charge0
Donor atoms{"O": 2, "N": 2, "P": 1}
AbbreviationGUPT4
SMILES[Cl-].[O-]c1ccc(F)c2cccnc12.[O-]c1ccc(F)c2cccnc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C36H25F2N2O2PRh/(1-26)(2-29)(3-27)(4-31)(5-28)(6-32)(7-30)(8-51)(9-43)(10-33)(11-36)(12-34)(13-35)(14-38)(15-45)(16-40)(17-52)(18-42)(19-37)(20-39)(21-48)(22-47)(23-41)(24-46)(25-44)(26-29)(26-32)(27-31)(27-32)(28-33)(28-34)(29-59)(30-40)(30-49)(31-59)(33-36)(34-60)(35-36)(35-60)(37-38)(37-41)(38-61)(39-41)(39-42)(40-51)(42-61)(43-45)(43-55)(44-48)(44-52)(45-57)(46-47)(46-56)(47-58)(48-50)(49-53)(49-57)(50-54)(50-58)(51-62)(52-63)(53-55)(53-62)(54-56)(54-63)(55-64)(56-65)(57-66)(58-67)(59-68)(60-68)(61-68)(62-69)(63-69)(68-69)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A549cisR5.1— 10.1016/j.bioorg.2025.108789 2025
A5496.7— 10.1016/j.bioorg.2025.108789 2025
HEK293—— 10.1016/j.bioorg.2025.108789 2025

🧬 Cell Death Types (2)

Apoptosis high
«GUPT3 and GUPT4 induce CR-A549 mitochondrial autophagy and ATP blockade, leading to apoptosis.»
Autophagy high
«GUPT3 and GUPT4 induce CR-A549 mitochondrial autophagy and ATP blockade, leading to apoptosis.»

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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