Primary-source preparation · Phase 6B
SYC2
parent graph verified assayed material unresolved. The tested preparation is distinct from any structural chemical component.
Source-reported parent graph
InChIKey: RXBCCPFICHOEAD-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(Cl)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 =0.07 ± 0.01 µM published ± statistic not independently confirmed | SPR (publisher compound table header) Construct not verified Additional conditions not verified Replicate details not verified | Publisher compound table row 28; SPR Kd (µM) column, corroborated by abstract Published SMILES and SPR column verified; original construct, statistic definition, replicate count and tested lot/salt remain unresolved. Not assignable to NSD3 PWWP1/PWWP2. |
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