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sirolimus

CHEBI:9168 EXACT SEEDED antibacterialenzyme inhibitor

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REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record.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.

A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent.

Structure

Standard InChIKeyQFJCIRLUMZQUOT-HPLJOQBZSA-N
SMILES[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@]([H])(CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C2)OC)[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](C1)OC
Stereochemistryfully defined
Cross-referencesnpatlas:NPA0414, pubchem:5284616

Filing pathway

Polyketides — 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 1

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
Streptomyces rapamycinicus NRRL 5491
NCBITaxon:1343740
SOURCE_ASSERTION mibig:BGC0001040 PMID:7644502

Occurrences 25

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
Purpureocillium
NCBITaxon:1052105
LOTUS DOI:10.1021/ACS.JNATPROD.0C00404
Streptomyces rapamycinicus
NCBITaxon:1226757
LOTUS DOI:10.1007/BF01573954
Streptomyces rapamycinicus
NCBITaxon:1226757
LOTUS DOI:10.1007/S00253-011-3348-6
Streptomyces rapamycinicus
NCBITaxon:1226757
LOTUS DOI:10.1007/S00449-013-1051-Y
Streptomyces rapamycinicus
NCBITaxon:1226757
LOTUS DOI:10.1016/0378-1119(95)00799-7
Streptomyces rapamycinicus
NCBITaxon:1226757
LOTUS DOI:10.1016/B978-0-12-404634-4.00017-6
Streptomyces rapamycinicus
NCBITaxon:1226757
LOTUS DOI:10.1016/J.JBIOSC.2013.03.011
Streptomyces rapamycinicus
NCBITaxon:1226757
LOTUS DOI:10.1016/S0006-291X(03)01231-2
Streptomyces rapamycinicus
NCBITaxon:1226757
LOTUS DOI:10.1016/S0378-1119(97)00450-2
Streptomyces rapamycinicus
NCBITaxon:1226757
LOTUS DOI:10.1038/SJ.JIM.2900434
Streptomyces rapamycinicus
NCBITaxon:1226757
LOTUS DOI:10.1074/JBC.RA118.005314
Streptomyces rapamycinicus
NCBITaxon:1226757
LOTUS DOI:10.1099/13500872-142-10-2815
Streptomyces rapamycinicus
NCBITaxon:1226757
LOTUS DOI:10.1099/13500872-145-8-1989
Streptomyces rapamycinicus
NCBITaxon:1226757
LOTUS DOI:10.1099/MIC.0.28194-0
Streptomyces rapamycinicus
NCBITaxon:1226757
LOTUS DOI:10.1111/J.1432-1033.1997.00526.X
Streptomyces rapamycinicus
NCBITaxon:1226757
LOTUS DOI:10.1128/GENOMEA.00616-14
Streptomyces rapamycinicus
NCBITaxon:1226757
LOTUS DOI:10.4014/JMB.1403.03024
Streptomyces hygroscopicus
NCBITaxon:1912
LOTUS DOI:10.1007/BF01573954
Streptomyces hygroscopicus
NCBITaxon:1912
LOTUS DOI:10.1007/S00253-011-3348-6
Streptomyces hygroscopicus
NCBITaxon:1912
LOTUS DOI:10.1007/S00449-013-1051-Y
Streptomyces hygroscopicus
NCBITaxon:1912
LOTUS DOI:10.1016/0378-1119(95)00799-7
Streptomyces hygroscopicus
NCBITaxon:1912
LOTUS DOI:10.1016/B978-0-12-404634-4.00017-6
Streptomyces hygroscopicus
NCBITaxon:1912
LOTUS DOI:10.1016/J.JBIOSC.2013.03.011
Streptomyces hygroscopicus
NCBITaxon:1912
LOTUS DOI:10.1016/S0006-291X(03)01231-2
Streptomyces hygroscopicus
NCBITaxon:1912
LOTUS DOI:10.1016/S0378-1119(97)00450-2

Biosynthetic gene clusters 1

AccessionHostLocus evidenceGenome
mibig:BGC0001040 Streptomyces rapamycinicus NRRL 5491
NCBITaxon:1343740
CLUSTER_UNSTATED genbank:X86780.1

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 1 producer (0 causal) 25 cited occurrences BIOSYNTHETIC LOCUS 1 gene cluster 0 curated pathway steps NATURAL PRODUCT sirolimus CHEBI:9168 Polyketides TARGETS & BIOACTIVITY 0 molecular targets 25 bioactivities · 1 graph

Causal graph — bioactivity 4 nodes, 4 edges

Sirolimus binds human FKBP12 and the FKBP12-sirolimus complex binds the human mTOR FKBP12-rapamycin-binding domain.

SubjectPredicateObjectNotesEvidence
sirolimus binds human FKBP12 BindingDB maps the 1 nM Ki rapamycin-FKBP12 measurement to human UniProtKB:P62942, and PDBe maps PDB 1FKB chain A to the same accession.
DOI:10.1016/1074-5521(95)90264-3
  • reference
    DOI:10.1016/1074-5521(95)90264-3
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Luengo et al. used rapamycin as the parent comparator while testing C-7 analog binding to FKBP12 and FKBP12-FRAP-dependent biological activity.
sirolimus forms human FKBP12-sirolimus complex
DOI:10.1016/1074-5521(95)90264-3
  • reference
    DOI:10.1016/1074-5521(95)90264-3
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Luengo et al. used rapamycin as the parent comparator while testing C-7 analog binding to FKBP12 and FKBP12-FRAP-dependent biological activity.
human FKBP12 forms human FKBP12-sirolimus complex
DOI:10.1126/science.273.5272.239
  • reference
    DOI:10.1126/science.273.5272.239
    evidence type
    PRIMARY_EXPERIMENT
    snippet
    A crystal structure of the ternary complex of human FKBP12, rapamycin, and the FKBP12-rapamycin-binding (FRB) domain of human FRAP
    notes
    Choi et al. solved the human FKBP12-sirolimus-human FRB ternary complex; RCSB PDB entry 1FAP links the structure to this paper.
human FKBP12-sirolimus complex binds human mTOR FRB domain The FRB structural target is the FKBP12-rapamycin-binding domain of human FRAP, now mechanistic target of rapamycin.
DOI:10.1126/science.273.5272.239
  • reference
    DOI:10.1126/science.273.5272.239
    evidence type
    PRIMARY_EXPERIMENT
    snippet
    A crystal structure of the ternary complex of human FKBP12, rapamycin, and the FKBP12-rapamycin-binding (FRB) domain of human FRAP
    notes
    Choi et al. solved the human FKBP12-sirolimus-human FRB ternary complex; RCSB PDB entry 1FAP links the structure to this paper.

Every edge carries its own citation; an uncited edge is refused by the corpus tests.

Bioactivities 25

Entries preserve source qualifiers, targets and evidence. Repeated assay names or values are not independent replications; inspect source detail for differences.

AssayResultTarget enzymeSource detail
A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells.OTHER 33.4983 uM; NOT_DETERMINEDNot recorded
pubchem.aid:624296
assay
A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells.
evidence
  • reference
    pubchem.aid:624296
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 624296, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_056979 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
33.4983
units
uM
A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells.OTHER 33.4983 uM; NOT_DETERMINEDNot recorded
pubchem.aid:624297
assay
A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells.
evidence
  • reference
    pubchem.aid:624297
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 624297, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_056979 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
33.4983
units
uM
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDBKD 0.0002 uM; ACTIVENot recorded
pubchem.aid:977611
assay
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB
evidence
  • reference
    pubchem.aid:977611
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 1FKB_A was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
measurement type
KD
value
0.0002
units
uM
activity class
ENZYME_INHIBITOR
Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDBKI 0.0009 uM; ACTIVENot recorded
pubchem.aid:977610
assay
Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB
evidence
  • reference
    pubchem.aid:977610
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 977610, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 1PBK_A was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
measurement type
KI
value
0.0009
units
uM
activity class
ENZYME_INHIBITOR
FKBP12 Assay from Article 10.1016/1074-5521(95)90264-3: "Structure-activity studies of rapamycin analogs: evidence that the C-7 methoxy group is part of the effector domain and positioned at the FKBP12-FRAP interface."KI 0.001 uM; ACTIVEUniProtKB:P62942
PMID:9383449
assay
FKBP12 Assay from Article 10.1016/1074-5521(95)90264-3: "Structure-activity studies of rapamycin analogs: evidence that the C-7 methoxy group is part of the effector domain and positioned at the FKBP12-FRAP interface."
evidence
  • reference
    PMID:9383449
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1799443, deposited by BindingDB; assay type Confirmatory.
call
ACTIVE
measurement type
KI
value
0.001
units
uM
target enzyme
UniProtKB:P62942
Inhibitors of USP1/UAF1: Pilot qHTSOTHER 35.4813 uM; NOT_DETERMINEDNot recorded
pubchem.aid:504865
assay
Inhibitors of USP1/UAF1: Pilot qHTS
evidence
  • reference
    pubchem.aid:504865
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504865, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession AAH18745 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
35.4813
units
uM
Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubationOTHER 1.5101 uM; ACTIVENot recorded
pubchem.aid:504832
assay
Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation
evidence
  • reference
    pubchem.aid:504832
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504832, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
1.5101
units
uM
activity class
ENZYME_INHIBITOR
Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubationOTHER 1.5101 uM; ACTIVENot recorded
pubchem.aid:504834
assay
Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation
evidence
  • reference
    pubchem.aid:504834
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504834, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
1.5101
units
uM
activity class
ENZYME_INHIBITOR
S16 Schwann cell viability assay (CellTiter-Glo assay)OTHER 0.0256 uM; NOT_DETERMINEDNot recorded
pubchem.aid:624031
assay
S16 Schwann cell viability assay (CellTiter-Glo assay)
evidence
  • reference
    pubchem.aid:624031
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 624031, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
0.0256
units
uM
SPR Assay to Determine Binding Affinity to FKBP12 from US Patent US11603377: "MTORC1 modulators and uses thereof"KD 0.0003 uM; ACTIVEUniProtKB:P62942
pubchem.aid:1919337
assay
SPR Assay to Determine Binding Affinity to FKBP12 from US Patent US11603377: "MTORC1 modulators and uses thereof"
evidence
  • reference
    pubchem.aid:1919337
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1919337, deposited by BindingDB; assay type Confirmatory.
call
ACTIVE
measurement type
KD
value
0.0003
units
uM
target enzyme
UniProtKB:P62942
activity class
ENZYME_INHIBITOR
SPR Assay to Determine Binding Affinity to FKBP51 from US Patent US11603377: "MTORC1 modulators and uses thereof"KD 0.01 uM; ACTIVEUniProtKB:Q13451
pubchem.aid:1919338
assay
SPR Assay to Determine Binding Affinity to FKBP51 from US Patent US11603377: "MTORC1 modulators and uses thereof"
evidence
  • reference
    pubchem.aid:1919338
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1919338, deposited by BindingDB; assay type Confirmatory.
call
ACTIVE
measurement type
KD
value
0.01
units
uM
target enzyme
UniProtKB:Q13451
activity class
ENZYME_INHIBITOR
VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activityOTHER 31.6228 uM; NOT_DETERMINEDNot recorded
pubchem.aid:2546
assay
VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity
evidence
  • reference
    pubchem.aid:2546
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2546, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_035411 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
31.6228
units
uM
qHTS for Inhibitors of TGF-bOTHER 12.5893 uM; NOT_DETERMINEDNot recorded
pubchem.aid:588855
assay
qHTS for Inhibitors of TGF-b
evidence
  • reference
    pubchem.aid:588855
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 588855, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession AAL68976 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
12.5893
units
uM
qHTS for Inhibitors of TGF-b: Cytotox CounterscreenOTHER 35.4813 uM; INACTIVENot recorded
pubchem.aid:588856
assay
qHTS for Inhibitors of TGF-b: Cytotox Counterscreen
evidence
  • reference
    pubchem.aid:588856
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 588856, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
INACTIVE
measurement type
OTHER
value
35.4813
units
uM
qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPTOTHER 8.9125 uM; NOT_DETERMINEDNot recorded
pubchem.aid:686978
assay
qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPT
evidence
  • reference
    pubchem.aid:686978
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 686978, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession AAI07878 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
8.9125
units
uM
qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPTOTHER 4.4668 uM; ACTIVENot recorded
pubchem.aid:686979
assay
qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPT
evidence
  • reference
    pubchem.aid:686979
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 686979, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. Target accession AAI07878 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
measurement type
OTHER
value
4.4668
units
uM
activity class
ENZYME_INHIBITOR
qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: Venus Reporter Primary qHTSOTHER 10 uM; NOT_DETERMINEDNot recorded
pubchem.aid:720580
assay
qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: Venus Reporter Primary qHTS
evidence
  • reference
    pubchem.aid:720580
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 720580, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession BAA01847 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
10.0
units
uM
qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primary qHTSOTHER 8.9125 uM; NOT_DETERMINEDNot recorded
pubchem.aid:720579
assay
qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primary qHTS
evidence
  • reference
    pubchem.aid:720579
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 720579, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession BAA01847 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
8.9125
units
uM
qHTS for inhibitors of ROR gamma transcriptional activityOTHER 35.4813 uM; NOT_DETERMINEDNot recorded
pubchem.aid:2551
assay
qHTS for inhibitors of ROR gamma transcriptional activity
evidence
  • reference
    pubchem.aid:2551
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2551, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_035411 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
35.4813
units
uM
qHTS of alpha-syn InhibitorsOTHER 3.9811 uM; INACTIVEUniProtKB:P37840
pubchem.aid:652106
assay
qHTS of alpha-syn Inhibitors
evidence
  • reference
    pubchem.aid:652106
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 652106, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
INACTIVE
measurement type
OTHER
value
3.9811
units
uM
target enzyme
UniProtKB:P37840
DSSTox (FDAMDD) FDA Maximum (Recommended) Daily Dose DatabaseACTIVENot recorded
pubchem.aid:1195
assay
DSSTox (FDAMDD) FDA Maximum (Recommended) Daily Dose Database
evidence
  • reference
    pubchem.aid:1195
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1195, deposited by EPA DSSTox; assay type Other.
call
ACTIVE
Experimentally measured binding affinity data derived from PDBACTIVENot recorded
pubchem.aid:1811
assay
Experimentally measured binding affinity data derived from PDB
evidence
  • reference
    pubchem.aid:1811
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1811, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 1FKB_A was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
activity class
ENZYME_INHIBITOR
Experimentally measured binding affinity data derived from PDBACTIVENot recorded
pubchem.aid:1811
assay
Experimentally measured binding affinity data derived from PDB
evidence
  • reference
    pubchem.aid:1811
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1811, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 1PBK_A was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
activity class
ENZYME_INHIBITOR
Expression of GFP-tagged protein in TOR C1 bypass strains and wild type Saccharomyces cerevisiaeACTIVENot recorded
pubchem.aid:504479
assay
Expression of GFP-tagged protein in TOR C1 bypass strains and wild type Saccharomyces cerevisiae
evidence
  • reference
    pubchem.aid:504479
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504479, deposited by NMMLSC; assay type Other. Target accession BAA21481 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
Expression of GFP-tagged protein in TOR C1 bypass strains and wild type Saccharomyces cerevisiaeACTIVENot recorded
pubchem.aid:504479
assay
Expression of GFP-tagged protein in TOR C1 bypass strains and wild type Saccharomyces cerevisiae
evidence
  • reference
    pubchem.aid:504479
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504479, deposited by NMMLSC; assay type Other. Target accession NP_009641 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
notes
66 further PubChem assay results are in data/raw/pubchem_bioassay.tsv but not written here.

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Open questions 1

name-disagreement — ChEBI calls this structure 'sirolimus' and MIBiG calls it 'rapamycin'. They share a Standard InChIKey, so if the names denote different compounds then one upstream record has the wrong structure. Check which.

Provenance

Source conceptSourceVersion
BGC0001040MIBIG5
CHEBI:9168CHEBI3-star

This page is generated from data/natural_products/polyketides/sirolimus.yaml, which is generated from the committed inventories. Neither is edited by hand.