Versioned curation · read-only research resource
phase5-1.0.0 · snapshot 2026-10-26
Full stereochemistry-aware InChIKeys separate exact identities. Preparations, named compounds, CCD components, ligand instances and assays retain distinct keys. A chemical drawing is generated only when source SMILES reconstruct the full recorded InChIKey.
Compound 11 remains an assayed stereoisomeric preparation. Neither modeled candidate in 9FOC receives its potency.
Domain-specific evidence requires a source-supported tested domain. Full-protein cellular observations remain at protein level. A structure link requires an exact identity and a recorded instance contacting the native annotation core or the broader mapped Pfam region within 5 Å.
Deposited components outside PWWP remain accessible in the broader component inventory.
Original operators, units, uncertainty, conditions, source-specific values and qualitative findings are retained. Only exact positive concentration endpoints are normalized to µM. Kd, Ki, IC50, EC50 and degradation DC50 remain separate endpoints.
A censored value such as Kd >30 µM is a bound, not an exact affinity. Negative control describes an experimental role, not necessarily absence of PWWP binding.
Source discovery runs outside web requests. Candidate changes require independent verification before entering a new curated overlay. Upstream identifiers, response hashes, query limits and inclusion decisions are recorded. The original v1.2 database and the original phylogenetic inference are preserved.
Coverage is a targeted, documented snapshot; it is not a claim to have recovered every compound ever studied.
| Source | Verification scope | Retrieval / review date |
|---|---|---|
| A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization10.1038/s41589-021-00898-0 | Primary author manuscript full text retrieved; relevant Methods, Results and figure legends inspectedArticle full text is not redistributed in this addition. | 2026-10-25 |
| Dilworth et al Supplementary Information10.1038/s41589-021-00898-0 | Supplement PDF retrieved; table/section inventory inspected; chemistry and crystallography identified; no assay-specific SPR temperature foundArticle full text is not redistributed in this addition. | 2026-10-25 |
| BI-9321 Supplementary Information10.1038/s41589-019-0310-x | Actual publisher supplement PDF; Table 7 visually inspected on PDF page 11Article full text is not redistributed in this addition. | 2026-10-25 |
| Bottcher et al accepted manuscript at Oxford University Research Archive10.1038/s41589-019-0310-x | Selected indexed primary Methods passages inspected; direct PDF and repository page retrieval returned HTTP 403; not a complete full-text reviewArticle full text is not redistributed in this addition. | 2026-10-25 |
| BI-9321 primary developer report10.1038/s41589-019-0310-x | Primary developers confirm exact chemical identity, SPR value and U2OS NanoBRET endpointArticle full text is not redistributed in this addition. | 2026-10-25 |
| Structural and Molecular Insight into the PWWP1 Domain of NSD2 from the Discovery of Novel Binders Via DNA-Encoded Library Screening10.1021/acsmedchemlett.5c00396 | Actual primary XML; full Results, Table 1 and footnotes inspectedArticle full text is not redistributed in this addition. | 2026-10-25 |
| Collie et al Supporting Information10.1021/acsmedchemlett.5c00396 | Actual primary PDF obtained from official Europe PMC supplementary archive after direct ACS retrieval returned 403; Table S2, SPR, biochemical method and compound 11-13 chemistry visually checkedArticle full text is not redistributed in this addition. | 2026-10-25 |
| Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches10.1021/acs.jmedchem.4c00215 | Bibliography, abstract and supporting-information description inspected. Final official repository checks found no PMC or Europe PMC full text. Direct ACS article retrieval returned HTTP 403; the full HTRF protocol remains uninspected. The actual supporting PDF was separately retrieved and inventoried as SV05D.Article full text is not redistributed in this addition. | 2026-10-26 |
| PWWP module of human hepatoma-derived growth factor forms a domain-swapped dimer with much higher affinity for heparin10.1016/j.jmb.2007.01.010 | Primary publication abstract and official linked 2NLU deposition title inspected; no new heparin assay curationArticle full text is not redistributed in this addition. | 2026-10-25 |
| Domain swapping and SMYD1 interactions with the PWWP domain of human hepatoma-derived growth factor10.1038/s41598-017-18510-8 | Actual primary full text; construct, DNA, structure, swapping and source identity descriptions inspectedArticle full text is not redistributed in this addition. | 2026-10-25 |
| BI-9321 publisher Figure 3 caption10.1038/s41589-019-0310-x | Actual official publisher figure page retrieved; Figure 3a caption inspectedArticle full text is not redistributed in this addition. | 2026-10-25 |
| BI-9321 publisher Figure 4 caption10.1038/s41589-019-0310-x | Actual official publisher figure page retrieved; Figure 4e caption inspectedArticle full text is not redistributed in this addition. | 2026-10-25 |
| Carlino et al Supporting Information10.1021/acs.jmedchem.4c00215.s001 | Actual 15-page publisher supporting PDF retrieved from ACS Figshare; page 1 contents visually inspected and complete extracted text searched. The supplement contains NMR, crystallography, FEP/ML, analytical chemistry, NanoBRET tracer data and molecular formula strings, but no HTRF protocol was found. This does not establish absence from the unavailable main article.Article full text is not redistributed in this addition. | 2026-10-26 |
| A NSD3-targeted PROTAC suppresses NSD3 and cMyc oncogenic nodes in cancer cells10.1016/j.chembiol.2021.08.004 | NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspectedderived factual curation and source receipts only; article text and publisher images excluded | 2026-10-26 |
| Discovery of a Potent and Selective Targeted NSD2 Degrader for the Reduction of H3K36me210.1021/jacs.3c01421 | NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1derived factual curation and source receipts only; article text and publisher images excluded | 2026-10-26 |
| A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization10.1038/s41589-021-00898-0 | NCBI BioC primary full text; UNC7096 Results and UNC7145 chemical transformation; primary Methods/captions inspectedderived factual curation and source receipts only; article text and publisher images excluded | 2026-10-26 |
| Recruitment of FBXO22 for targeted degradation of NSD210.1038/s41589-024-01660-y | Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structuresderived factual curation and source receipts only; article text and publisher images excluded | 2026-10-26 |
| Discovery of LLC0424 as a Potent and Selective in Vivo NSD2 PROTAC Degrader10.1021/acs.jmedchem.3c01765 | NCBI BioC full text; abstract, Results, chemical synthesis names and figure captions inspectedderived factual curation and source receipts only; article text and publisher images excluded | 2026-10-26 |
| BI-9321 chemical probe and BI-9466 negative control | Official SGC probe page; explicit BI-9466 SMILES, InChI and InChIKey corroborated against PubChemderived factual curation and source receipts only; article text and publisher images excluded | 2026-10-26 |
| Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches10.1021/acs.jmedchem.4c00215 | Primary abstract independently confirms compound34 pIC50=8.2; other 139 ChEMBL rows retained as candidates pending primary-table verificationderived factual curation and source receipts only; article text and publisher images excluded | 2026-10-26 |
| A1H7Z (compound34) Chemical Probes Portal profile | Identity and publication mapping inspected; expert selectivity concern preserved; no endorsement inferredderived factual curation and source receipts only; article text and publisher images excluded | 2026-10-26 |
| Fragment-based discovery of small molecule inhibitors of the HDGFRP2 PWWP domain10.1002/1873-3468.14981 | Official publisher full HTML independently inspected: Methods, Results and Figures 1–4 captions; original Supplementary Figure S2 was not retrievedderived factual curation and source receipts only; article text and publisher images excluded | 2026-10-26 |
| High-Affinity Nanobody Against the LEDGF PWWP Domain Inhibits Chromatin Binding In Vitro10.3390/biom16050716 | NCBI BioC primary full text; Table 1 and footnote, SPR Methods, AlphaScreen Methods and Results inspectedderived factual curation and source receipts only; article text and publisher images excluded | 2026-10-26 |
| Discovery of Small-Molecule Antagonists of the PWWP Domain of NSD210.1021/acs.jmedchem.0c01768 | NCBI BioC primary full text; Results, SPR Methods and figure captions; supplementary numerical figure images not independently retrievedderived factual curation and source receipts only; article text and publisher images excluded | 2026-10-26 |
| Structural and Histone Binding Ability Characterizations of Human PWWP Domains10.1371/journal.pone.0018919 | NCBI BioC primary full text; Table 1 XML, crystal tables, ligand Results and fluorescence-polarization Methods inspectedderived factual curation and source receipts only; article text and publisher images excluded | 2026-10-26 |
| Discovery and biological evaluation of HS13 as a novel covalent ligand targeting the NSD2-PWWP1 domain10.1016/j.bmc.2026.118751 | Official publisher abstract, introduction and selected publicly available section snippets only; complete Methods and exact chemical identity not independently verifiedderived factual curation and source receipts only; article text and publisher images excluded | 2026-10-26 |
Every packaged file below is checked against its content hash. Filtered exports preserve the matching context and record IDs.
| File | Bytes | SHA-256 |
|---|---|---|
| assay_observations.csv | 75893 | 0bc3d47a5e7ddbe88ad9d49fb00c0790ae61b69381643181be4b5a31921338f7 |
| assay_observations.json | 521791 | c6d0132fd1d27358b10f9cbacb87336b4cc511fdb5950b351c766d678c87549a |
| compound_profiles.json | 498280 | c9f76571f0fcb7d08d0b2058ff743cf786e767b7e65a2767b71628a785b5471e |
| pwwp_phase5_1.0.0.sqlite | 16568320 | 9b687df9abc3e6434d5f244d2ab94c6ee5566c685e1a74bd59ec4c466b947b0b |
| source_reconciliation.json | 2 | 4f53cda18c2baa0c0354bb5f9a3ecbe5ed12ab4d8e11ba873c2f11161202b945 |
| source_search_log.json | 6261 | 26dc8907c6f381cf5b8992567dc5c4f09bd55c478f4de5307c1b6fe4b4e76d4b |
| summary.json | 685 | c5bbbcf4d8e55331f488d4deb770ccd9f863f07ed56f5b7c4e770fb2eb2aebbc |