Primary-source preparation · Phase 6B
SYC5
parent graph verified assayed material unresolved. The tested preparation is distinct from any structural chemical component.
Source-reported parent graph
InChIKey: POPGPJNGJZWXMI-UHFFFAOYSA-N. This derived identifier describes the source-reported molecular graph; the measured material's salt, lot and composition were not independently established.
Published SMILES: FC1=CC(NC2=C(N=C3C=CC(CN)=CN32)C4=CC=C(F)C=C4)=CN=C1
1 experimental observations
Every row retains its original source conditions
| Target scope | Endpoint | Construct, method, conditions | Primary source location |
|---|---|---|---|
| NSD3 PWWP instance unresolved No exact isolated PWWP-domain instance assigned | Kd =0.18 ± 0.03 µM published ± statistic not independently confirmed | SPR (publisher compound table header) Construct not verified Original article table lacks complete assay condition and tested construct details Replicate details not verified | Publisher source compound table row 31; SPR Kd (µM) column Binding method supported by publisher table header; experimental sequence/variant, statistic and salt/lot remain uncertain. No experimentally deposited PWWP-bound complex verified. |
Experimental structural relationship
No verified PWWP-bound experimental structure of this preparation was identified in this Phase 6B snapshot. Docked poses and AlphaFold/predicted conformers do not replace deposited experimental coordinates.
Source-provenance and uncertainty
AI-Driven Discovery of a Hydrophobic-Tag Degrader Targeting NSD3 for Lung Squamous Carcinoma Therapy (DOI 10.1021/acs.jmedchem.6c00983)
Access level: publisher hosted primary compound table and abstract
Unresolved: Original source table supplies compound name, SMILES, SPR Kd and reported uncertainty/censored sign. Protein construct boundaries, replicate definitions and assay preparation lots/salts remain unverified. Linked docking models are predictions rather than experimentally deposited complexes.
- Publisher-hosted original compound spreadsheet, header SPR Kd (µM), rows 20, 23, 24, 27–29, 31–33
- Publisher scientific article abstract
- Supporting Information availability listing