NaturalProductMech

Browse · Amino acids and peptides · tubulysin A

tubulysin A

naturalproductmech:mibig-02045ec850 MINTED SEEDED cytotoxicenzyme inhibitor

Grounding review: No 3-star ChEBI entry shares this structure, so the record keeps a content-hashed identifier.
What these status tags mean

Curation status describes a workflow state. SEEDED means the record entered through the source-seeding workflow; it does not imply that no later curation occurred. PROPOSED marks an addition awaiting review; REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record. These are workflow decisions, not independently verified human review. Agent-assisted contributions may appear in the record history.

Grounding describes the identifier mapping: EXACT uses an ontology identity asserted by the source; MINTED keeps a local identifier when no defensible ontology identity is available; REVIEW_NEEDED flags an exact structure whose ontology identity needs adjudication. The grounding note retains any unresolved alternatives. These tags do not establish the strength of producer or activity evidence.

Structure

Standard InChIKeyIBEDDHUHZBDXGB-UHFFFAOYSA-N
SMILESCCC(C)C(NC(=O)C1CCCCN1C)C(=O)N(COC(=O)CC(C)C)C(CC(OC(C)=O)C1=NC(=CS1)C(=O)NC(CC(C)C(O)=O)CC1=CC=C(O)C=C1)C(C)C
Stereochemistry undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers
Cross-referencesnpatlas:NPA016692, pubchem:12134544

Filing pathway

Amino acids and peptides — computed by NPClassifier npclassifier.gnps2.org@2026-09-07, which is why it is pinned rather than recomputed. The gene cluster's asserted class is nrps, pks, from MIBiG.

Producer organisms 2

A claim that this taxon makes the compound. The basis says what the evidence addressed — a knockout and a database assertion are not the same claim.

TaxonBasisClusterEvidence
Archangium disciforme
NCBITaxon:38		 SOURCE_ASSERTION mibig:BGC0001053 PMID:15324808
Cystobacter sp. SBCb004
NCBITaxon:764904		 SOURCE_ASSERTION mibig:BGC0001344 PMID:20338521

Occurrences 1

Somebody found the compound in this organism and cited it. That is not a claim that the organism makes it, and nothing here promotes one to the other.

TaxonSourceReference
Cystobacter
NCBITaxon:42		 LOTUS DOI:10.1016/J.CHEMBIOL.2010.01.016

Biosynthetic gene clusters 2

AccessionHostLocus evidenceGenome
mibig:BGC0001053 Archangium disciforme
NCBITaxon:38 		CLUSTER_UNSTATED genbank:AJ620477.1
mibig:BGC0001344 Cystobacter sp. SBCb004
NCBITaxon:764904 		CLUSTER_UNSTATED genbank:GU002154.1

A locus claim and a taxon claim are different questions. Heterologous expression settles the first and leaves the second where the isolation report left it.

Mechanism & Biosynthesis Overview

PRODUCERS & OCCURRENCE 2 producers (0 causal) 1 cited occurrence BIOSYNTHETIC LOCUS 2 gene clusters 0 curated pathway steps NATURAL PRODUCT tubulysin A naturalproductmech:mibig-02045ec850 Amino acids and peptides TARGETS & BIOACTIVITY 0 molecular targets 15 bioactivities · 0 graphs

Bioactivities 15

Entries preserve source qualifiers, targets and evidence. Repeated assay names or values are not independent replications; inspect source detail for differences. 2 identical imported entries were collapsed for display only.

AssayResultTarget enzymeSource detail
Constitutive androstane receptor (CAR) small molecule agonists, cell-based qHTS assay in HepG2 cellsOTHER 0.0094 uM; INACTIVENot recorded
pubchem.aid:2202728
assay
Constitutive androstane receptor (CAR) small molecule agonists, cell-based qHTS assay in HepG2 cells
evidence
  • reference
    pubchem.aid:2202728
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2202728, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
INACTIVE
measurement type
OTHER
value
0.0094
units
uM
Constitutive androstane receptor (CAR) small molecule agonists, cell-based qHTS assay in HepG2 cellsOTHER 0.0094 uM; INACTIVENot recorded
pubchem.aid:2202728
assay
Constitutive androstane receptor (CAR) small molecule agonists, cell-based qHTS assay in HepG2 cells
evidence
  • reference
    pubchem.aid:2202728
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2202728, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. Target accession ADZ17385 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
INACTIVE
measurement type
OTHER
value
0.0094
units
uM
P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screenOTHER 0.0019 uM; ACTIVENot recorded
PMID:31515284
assay
P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen
evidence
  • reference
    PMID:31515284
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1346987, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
0.0019
units
uM
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an RCH-ACV wild type WT cells (2C)OTHER 0.0003 uM; ACTIVENot recorded
pubchem.aid:1645877
assay
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an RCH-ACV wild type WT cells (2C)
evidence
  • reference
    pubchem.aid:1645877
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645877, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
0.0003
units
uM
activity class
ENZYME_INHIBITOR
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an RCH-ACV wild type WT cells (2C)OTHER 0.0003 uM; ACTIVEUniProtKB:O96028
pubchem.aid:1645877
assay
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an RCH-ACV wild type WT cells (2C)
evidence
  • reference
    pubchem.aid:1645877
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645877, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
0.0003
units
uM
target enzyme
UniProtKB:O96028
activity class
ENZYME_INHIBITOR
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an isogenic RCH-ACV NSD2 p.E1099K mutant (9B)OTHER 0.0011 uM; ACTIVENot recorded
pubchem.aid:1645876
assay
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an isogenic RCH-ACV NSD2 p.E1099K mutant (9B)
evidence
  • reference
    pubchem.aid:1645876
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645876, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
0.0011
units
uM
activity class
ENZYME_INHIBITOR
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an isogenic RCH-ACV NSD2 p.E1099K mutant (9B)OTHER 0.0011 uM; ACTIVEUniProtKB:O96028
pubchem.aid:1645876
assay
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an isogenic RCH-ACV NSD2 p.E1099K mutant (9B)
evidence
  • reference
    pubchem.aid:1645876
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645876, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
0.0011
units
uM
target enzyme
UniProtKB:O96028
activity class
ENZYME_INHIBITOR
Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) drug resistant MV4-11 cellsOTHER 0.0004 uM; ACTIVENot recorded
pubchem.aid:1963824
assay
Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) drug resistant MV4-11 cells
evidence
  • reference
    pubchem.aid:1963824
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1963824, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
0.0004
units
uM
Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) drug resistant MV4-11 cellsOTHER 0.0004 uM; ACTIVEUniProtKB:P43405
pubchem.aid:1963824
assay
Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) drug resistant MV4-11 cells
evidence
  • reference
    pubchem.aid:1963824
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1963824, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
0.0004
units
uM
target enzyme
UniProtKB:P43405
Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) naive MV4-11 cellsOTHER 0.0004 uM; ACTIVENot recorded
pubchem.aid:1963823
assay
Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) naive MV4-11 cells
evidence
  • reference
    pubchem.aid:1963823
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1963823, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
0.0004
units
uM
Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) naive MV4-11 cellsOTHER 0.0004 uM; ACTIVEUniProtKB:P43405
pubchem.aid:1963823
assay
Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) naive MV4-11 cells
evidence
  • reference
    pubchem.aid:1963823
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1963823, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
0.0004
units
uM
target enzyme
UniProtKB:P43405
Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput ScreeningACTIVENot recorded
PMID:31498718
assay
Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening
evidence
  • reference
    PMID:31498718
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1296008, deposited by NCGC; assay type Confirmatory.
call
ACTIVE
activity class
CYTOTOXIC
P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screenACTIVENot recorded
PMID:31515284
assay
P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen
evidence
  • reference
    PMID:31515284
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1346986, deposited by NCGC; assay type Confirmatory.
call
ACTIVE
Primary qHTS to identify gynecologic anti-cancer compounds using libraries of approved drugs and bioactive compoundsACTIVENot recorded
pubchem.aid:1345084
assay
Primary qHTS to identify gynecologic anti-cancer compounds using libraries of approved drugs and bioactive compounds
evidence
  • reference
    pubchem.aid:1345084
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1345084, deposited by NCGC; assay type Confirmatory.
call
ACTIVE
activity class
CYTOTOXIC
qHTS assay to identify novel small-molecules to repurpose for Merkel cell carcinoma treatmentACTIVENot recorded
pubchem.aid:1296009
assay
qHTS assay to identify novel small-molecules to repurpose for Merkel cell carcinoma treatment
evidence
  • reference
    pubchem.aid:1296009
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1296009, deposited by NCGC; assay type Confirmatory.
call
ACTIVE

Explore across X-Mech

AntibioticMech (tubulysin A) ↗ MediaIngredientMech (naturalproductmech:mibig-02045ec850) ↗ TaxonMech: Archangium disciforme (NCBITaxon:38) ↗ TaxonMech: Cystobacter sp. SBCb004 (NCBITaxon:764904) ↗ PathwayMech (mibig:BGC0001053) ↗ PathwayMech (mibig:BGC0001344) ↗

Open questions 1

shared-structure — This structure is reported by more than one MIBiG entry: BGC0001053, BGC0001344. Confirm they describe the same compound rather than an upstream cross-reference error.

Provenance

Source conceptSourceVersion
BGC0001053MIBIG5
BGC0001344MIBIG4

This page is generated from data/natural_products/amino_acids_and_peptides/tubulysin-a.yaml, which is generated from the committed inventories. Neither is edited by hand.