Info
| ID | 5429 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir-1 |
| SMILES | C1=CC2CC1CC2c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C42H32IrN6/(1-39)(2-41)(3-37)(4-65)(5-36)(6-66)(7-51)(8-46)(9-52)(10-53)(11-48)(12-54)(13-61)(14-56)(15-55)(16-56)(17-45)(18-64)(19-49)(20-40)(21-50)(22-42)(23-62)(24-63)(25-43)(26-67)(27-44)(28-35)(29-47)(30-38)(31-55)(32-76)(33-36)(33-57)(34-47)(34-60)(35-40)(35-68)(36-37)(37-39)(38-42)(38-69)(39-41)(40-51)(41-57)(42-52)(43-45)(43-64)(44-49)(44-58)(45-59)(46-50)(46-53)(47-50)(48-54)(48-61)(49-67)(51-65)(52-66)(53-60)(54-62)(55-61)(55-62)(56-62)(56-63)(57-68)(58-70)(58-72)(59-71)(59-73)(60-69)(61-63)(63-74)(64-79)(65-77)(66-78)(67-75)(68-77)(69-78)(70-71)(70-76)(71-80)(72-73)(72-75)(73-79)(74-76)(74-80)(77-81)(78-81)(79-81)(80-81)
Measurements (10)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SGC-7901 | 3.9 | — | 10.1007/s00775-016-1401-8 | 2016 |
| SiHa | 4.1 | — | 10.1007/s00775-016-1401-8 | 2016 |
| MG-63 | 4.2 | — | 10.1007/s00775-016-1401-8 | 2016 |
| BEL-7402 | 5.4 | — | 10.1007/s00775-016-1401-8 | 2016 |
| PC-12 | 5.7 | — | 10.1007/s00775-016-1401-8 | 2016 |
| HOS | 6 | — | 10.1007/s00775-016-1401-8 | 2016 |
| A549 | 9.6 | — | 10.1007/s00775-016-1401-8 | 2016 |
| LO2 | 10 | — | 10.1007/s00775-016-1401-8 | 2016 |
| HepG2 | 13 | — | 10.1007/s00775-016-1401-8 | 2016 |
| HeLa | 14 | — | 10.1007/s00775-016-1401-8 | 2016 |
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.
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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.