ADC payload — MMAE · DXd · DM1
ADC payloads (auristatin, exatecan, maytansinoid)
The comparison question
MMAE and DM1 are compared as payload molecules. Antibody, linker, attachment site and drug-to-antibody ratio are absent. Read the highlighted molecular connections first, then add product composition as a separate evidence layer.
Read the two structures
Compare chain regions, ring regions and labelled heteroatoms in MMAE and DM1. The unit shown here is a payload molecule. A whole-ADC comparison additionally requires antibody, linker, conjugation-site and drug-to-antibody-ratio information; these drawings do not encode those components.
| Observation | MMAE | DM1 |
|---|---|---|
| C(=O)–N connections | 4 | 3 |
| Chlorine atoms | 0 | 1 |
Connect the structural observations with the fingerprint result
The C(=O)–N query detects four connections in MMAE and three in DM1. DM1 has one chlorine atom; MMAE has none. Selected connection counts and the full ring/chain arrangements differ between these payload molecules. [MMAE] · [DM1]
Twenty-one shared set bits across a union of 146 give 0.144. Having C(=O)–N connections in both molecules does not imply extensive overlap of complete local environments. This is why motif counts and the whole fingerprint are read together.
These are payload molecules, not complete ADCs. Antibody, linker, attachment sites and conjugation distribution are absent. Extending the comparison to products requires separate product composition and experimental evidence.
Calculated structural similarity: 0.144 · Morgan radius 2 / 2048 bits · Tanimoto
Calculation: 21 / (77 + 90 − 21) = 21 / 146 ≈ 0.144. Set-bit counts are not counts of unique atoms or functional groups.
Query definitions and reproducibility
- C(=O)–N connections:
[#6](=[#8])[#7] - Chlorine atoms:
[Cl]
RDKit 2025.03.4 · Matches with identical atom sets are counted once. Colours mark atoms and bonds matching selected queries, not a proven shared scaffold or synthesis route.
- Read elemental composition from the formulas.
- Trace ring and substituent connections in each drawing.
- Compare your observations with the fingerprint score calculated under identical settings.
- Check stereochemistry and the complete InChIKey in the source records.
The score is fingerprint overlap, not a percentage of efficacy or safety. RDKit
Structure-source check: 2026-10-08 / 2026-10-08 · Editorial update and calculation check: 2026-10-16
Download source structures, queries and bit counts for this comparison (JSON)
Structure families
Key drugs · payloads
Comparisons · briefs
BioMoa
Editorial responsibility and corrections
Operated and edited by the independent StructureMoa project. Explanations use AI assistance; structural identity and similarity are checked against source records and calculation tests. Molecular data and clinical or regulatory evidence have separate review scopes.
- Source structures
- PubChem · CID / SMILES / InChIKey
- Calculations and automated checks
- RDKit · Morgan / SMARTS
- Disclosed specialist review
- No separate external specialist review is disclosed. Passing automated tests is not specialist review of clinical claims.
For a correction, include the page URL, molecule name or CID, the field in question and a supporting source. Corrections are checked against sources, and the affected editorial update date is changed when a correction is published. [email protected]