NDUFB1
gene geneOn this page
Also known as MNLLCI-MNLL
Summary
NDUFB1 (NADH:ubiquinone oxidoreductase subunit B1, HGNC:7695) is a protein-coding gene on chromosome 14q31.3, encoding NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 1 (O75438). Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed not to be involved in catalysis. It is a selective cancer dependency (DepMap: 73.3% of cell lines).
Predicted to enable NADH dehydrogenase (ubiquinone) activity. Predicted to be involved in mitochondrial electron transport, NADH to ubiquinone and proton motive force-driven mitochondrial ATP synthesis. Located in mitochondrial inner membrane and nuclear speck. Part of respiratory chain complex I.
Source: NCBI Gene 4707 — RefSeq curated summary.
At a glance
- GWAS associations: 3
- Clinical variants (ClinVar): 12 total
- Druggable target: yes
- Cancer dependency (DepMap): dependent in 73.3% of screened cell lines
- MANE Select transcript:
NM_004545
Identifiers
Gene identifiers
| Field | Value |
|---|---|
| HGNC ID | HGNC:7695 |
| Approved symbol | NDUFB1 |
| Name | NADH:ubiquinone oxidoreductase subunit B1 |
| Location | 14q31.3 |
| Locus type | gene with protein product |
| Status | Approved |
| Aliases | MNLL, CI-MNLL |
| Ensembl gene | ENSG00000183648 |
| Ensembl biotype | protein_coding |
| OMIM | 603837 |
| Entrez | 4707 |
Gene structure
Transcript identifiers
Ensembl transcripts: 31 — 29 protein_coding, 1 retained_intron, 1 protein_coding_CDS_not_defined
ENST00000329559, ENST00000553514, ENST00000553666, ENST00000555441, ENST00000556555, ENST00000605997, ENST00000617122, ENST00000909059, ENST00000909060, ENST00000909061, ENST00000909062, ENST00000909063, ENST00000909064, ENST00000909065, ENST00000909066, ENST00000932813, ENST00000932814, ENST00000932815, ENST00000932816, ENST00000932817, ENST00000932818, ENST00000932819, ENST00000932820, ENST00000932821, ENST00000932822, ENST00000932823, ENST00000932824, ENST00000932825, ENST00000949683, ENST00000949684, ENST00000949685
RefSeq mRNA: 1 — MANE Select: NM_004545
NM_004545
CCDS: CCDS9901
Canonical transcript exons
ENST00000605997 — 3 exons
| Exon | Start | End |
|---|---|---|
| ENSE00002475112 | 92116123 | 92116229 |
| ENSE00003695332 | 92117498 | 92117642 |
| ENSE00003697397 | 92121642 | 92121706 |
Expression profiles
Bgee: expression breadth ubiquitous, 288 present calls, max score 99.63.
FANTOM5 (CAGE): breadth ubiquitous, TPM avg 62.2639 / max 396.8956, expressed in 1822 samples.
FANTOM5 promoters (2 alternative TSS)
| Promoter ID | TPM avg | Samples expressed |
|---|---|---|
| 144578 | 61.0300 | 1822 |
| 144579 | 1.2339 | 644 |
Top tissues by expression
288 total, by Bgee expression score (0-100, higher = more expressed):
| Tissue | Anatomy ID | Expression score | Quality |
|---|---|---|---|
| cardiac ventricle | UBERON:0002082 | 99.63 | gold quality |
| heart left ventricle | UBERON:0002084 | 99.63 | gold quality |
| apex of heart | UBERON:0002098 | 99.63 | gold quality |
| right atrium auricular region | UBERON:0006631 | 99.60 | gold quality |
| cardiac atrium | UBERON:0002081 | 99.57 | gold quality |
| heart right ventricle | UBERON:0002080 | 99.53 | gold quality |
| heart | UBERON:0000948 | 99.51 | gold quality |
| renal medulla | UBERON:0000362 | 99.46 | gold quality |
| adenohypophysis | UBERON:0002196 | 99.40 | gold quality |
| endothelial cell | CL:0000115 | 99.39 | gold quality |
| left adrenal gland cortex | UBERON:0035825 | 99.38 | gold quality |
| left adrenal gland | UBERON:0001234 | 99.36 | gold quality |
| hindlimb stylopod muscle | UBERON:0004252 | 99.36 | gold quality |
| mucosa of transverse colon | UBERON:0004991 | 99.36 | gold quality |
| body of tongue | UBERON:0011876 | 99.36 | gold quality |
| pituitary gland | UBERON:0000007 | 99.35 | gold quality |
| nucleus accumbens | UBERON:0001882 | 99.35 | gold quality |
| adrenal cortex | UBERON:0001235 | 99.34 | gold quality |
| biceps brachii | UBERON:0001507 | 99.34 | gold quality |
| caudate nucleus | UBERON:0001873 | 99.34 | gold quality |
| calcaneal tendon | UBERON:0003701 | 99.34 | gold quality |
| right adrenal gland | UBERON:0001233 | 99.33 | gold quality |
| muscle of leg | UBERON:0001383 | 99.32 | gold quality |
| amygdala | UBERON:0001876 | 99.32 | gold quality |
| myocardium | UBERON:0002349 | 99.32 | gold quality |
| gastrocnemius | UBERON:0001388 | 99.31 | gold quality |
| left ventricle myocardium | UBERON:0006566 | 99.31 | gold quality |
| cingulate cortex | UBERON:0003027 | 99.29 | gold quality |
| anterior cingulate cortex | UBERON:0009835 | 99.29 | gold quality |
| right adrenal gland cortex | UBERON:0035827 | 99.29 | gold quality |
Single-cell (SCXA)
Detected in 13 experiment(s), a significant marker in 6.
| Experiment | Marker? | Max mean expression |
|---|---|---|
| E-GEOD-89232 | yes | 1995.18 |
| E-ANND-3 | yes | 18.08 |
| E-HCAD-10 | yes | 11.96 |
| E-GEOD-135922 | yes | 8.23 |
| E-MTAB-6678 | yes | 8.21 |
| E-MTAB-10042 | yes | 7.26 |
| E-CURD-79 | no | 378.59 |
| E-MTAB-6075 | no | 246.80 |
| E-MTAB-7606 | no | 165.38 |
| E-GEOD-125970 | no | 14.88 |
| E-MTAB-9388 | no | 13.56 |
| E-CURD-112 | no | 8.82 |
| E-GEOD-81547 | no | 4.43 |
Regulation
Is transcription factor: no
Functional genomics
DepMap (CRISPR cell-line fitness): dependent in 73.3% of screened cell lines.
Cross-species orthologs
3 orthologs
| Organism | Symbol | Gene ID |
|---|---|---|
| danio_rerio | ndufb1 | ENSDARG00000087456 |
| mus_musculus | Ndufb1 | ENSMUSG00000113902 |
| rattus_norvegicus | Ndufb1 | ENSRNOG00000088065 |
Protein
Protein identifiers
NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 1 — O75438 (reviewed: O75438)
Alternative names: Complex I-MNLL, NADH-ubiquinone oxidoreductase MNLL subunit
All UniProt accessions (1): O75438
UniProt curated annotations — full annotation on UniProt →
Function. Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.
Subunit / interactions. Complex I is composed of 45 different subunits.
Subcellular location. Mitochondrion inner membrane.
Similarity. Belongs to the complex I NDUFB1 subunit family.
Isoforms (2)
| UniProt ID | Names | Canonical? |
|---|---|---|
| O75438-1 | 1 | yes |
| O75438-2 | 2 |
RefSeq proteins (1): NP_004536* (*=MANE)
Domains & families (InterPro)
| ID | Name | Type |
|---|---|---|
| IPR012575 | NDUB1 | Family |
Pfam: PF08040
UniProt features (4 total): initiator methionine 1, chain 1, transmembrane region 1, splice variant 1
Structure
Experimental structures (PDB)
7 structures.
| PDB | Method | Resolution (Å) |
|---|---|---|
| 9I4I | ELECTRON MICROSCOPY | 2.63 |
| 9TI4 | ELECTRON MICROSCOPY | 2.66 |
| 9CWT | ELECTRON MICROSCOPY | 3.44 |
| 5XTC | ELECTRON MICROSCOPY | 3.7 |
| 5XTD | ELECTRON MICROSCOPY | 3.7 |
| 5XTH | ELECTRON MICROSCOPY | 3.9 |
| 5XTI | ELECTRON MICROSCOPY | 17.4 |
Predicted structure (AlphaFold)
| Model | pLDDT | Fraction very-high |
|---|---|---|
| AF-O75438-F1 | 91.24 | 0.73 |
Function
Pathways and Gene Ontology
Reactome pathways
4 pathways
| ID | Pathway |
|---|---|
| R-HSA-611105 | Respiratory electron transport |
| R-HSA-6799198 | Complex I biogenesis |
| R-HSA-1428517 | Aerobic respiration and respiratory electron transport |
| R-HSA-1430728 | Metabolism |
MSigDB gene sets: 163 (showing top):
MODULE_93, GGGNRMNNYCAT_UNKNOWN, MODULE_151, MODULE_77, GOBP_ORGANOPHOSPHATE_METABOLIC_PROCESS, GOBP_NUCLEOSIDE_PHOSPHATE_BIOSYNTHETIC_PROCESS, GOBP_ORGANOPHOSPHATE_BIOSYNTHETIC_PROCESS, GOBP_CARBOHYDRATE_DERIVATIVE_METABOLIC_PROCESS, GOBP_MONOATOMIC_CATION_TRANSPORT, GOBP_NUCLEOBASE_CONTAINING_SMALL_MOLECULE_METABOLIC_PROCESS, GOBP_GENERATION_OF_PRECURSOR_METABOLITES_AND_ENERGY, GOBP_ATP_BIOSYNTHETIC_PROCESS, GOBP_OXIDATIVE_PHOSPHORYLATION, GOBP_CARBOHYDRATE_DERIVATIVE_BIOSYNTHETIC_PROCESS, GOBP_NUCLEOSIDE_TRIPHOSPHATE_METABOLIC_PROCESS
GO Biological Process (5): mitochondrial electron transport, NADH to ubiquinone (GO:0006120), aerobic respiration (GO:0009060), proton motive force-driven mitochondrial ATP synthesis (GO:0042776), SRP-dependent cotranslational protein targeting to membrane, signal sequence recognition (GO:0006617), proton transmembrane transport (GO:1902600)
GO Molecular Function (1): NADH dehydrogenase (ubiquinone) activity (GO:0008137)
GO Cellular Component (6): mitochondrion (GO:0005739), mitochondrial inner membrane (GO:0005743), nuclear speck (GO:0016607), respiratory chain complex I (GO:0045271), signal recognition particle, endoplasmic reticulum targeting (GO:0005786), membrane (GO:0016020)
Reactome top-level categories
Rollup of top-3 pathways:
| Category | Pathways |
|---|---|
| Aerobic respiration and respiratory electron transport | 1 |
| Respiratory electron transport | 1 |
| Metabolism | 1 |
GO top-level categories
Rollup of top GO terms by namespace:
| Category | Terms |
|---|---|
| aerobic electron transport chain | 1 |
| mitochondrial ATP synthesis coupled electron transport | 1 |
| cellular respiration | 1 |
| mitochondrion | 1 |
| oxidative phosphorylation | 1 |
| proton motive force-driven ATP synthesis | 1 |
| SRP-dependent cotranslational protein targeting to membrane | 1 |
| protein-containing complex assembly | 1 |
| monoatomic cation transmembrane transport | 1 |
| NADH dehydrogenase activity | 1 |
| electron transfer activity | 1 |
| proton transmembrane transporter activity | 1 |
| oxidoreduction-driven active transmembrane transporter activity | 1 |
| oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor | 1 |
| active monoatomic ion transmembrane transporter activity | 1 |
| cytoplasm | 1 |
| intracellular membrane-bounded organelle | 1 |
| organelle inner membrane | 1 |
| mitochondrial membrane | 1 |
| nuclear ribonucleoprotein granule | 1 |
| NADH dehydrogenase complex | 1 |
| respiratory chain complex | 1 |
| transmembrane transporter complex | 1 |
| signal recognition particle | 1 |
| cellular anatomical structure | 1 |
Protein interactions and networks
STRING
1104 interactions, top by confidence (×1000):
| Protein A | Protein B | Partner UniProt | Score |
|---|---|---|---|
| NDUFB1 | NDUFA2 | O43678 | 920 |
| NDUFB1 | NDUFB5 | O43674 | 897 |
| NDUFB1 | NDUFB11 | Q9NX14 | 896 |
| NDUFB1 | NDUFB10 | O96000 | 892 |
| NDUFB1 | NDUFB6 | O95139 | 874 |
| NDUFB1 | NDUFB4 | O95168 | 845 |
| NDUFB1 | MT-ND4 | P03905 | 820 |
| NDUFB1 | NDUFA1 | O15239 | 788 |
| NDUFB1 | COXFA4 | O00483 | 750 |
| NDUFB1 | NDUFB9 | Q9Y6M9 | 729 |
| NDUFB1 | NDUFA7 | O95182 | 705 |
| NDUFB1 | NDUFA11 | Q86Y39 | 691 |
| NDUFB1 | NDUFA5 | Q16718 | 689 |
| NDUFB1 | NDUFB3 | O43676 | 683 |
| NDUFB1 | NDUFS2 | O75306 | 673 |
IntAct
62 interactions, top by confidence:
| A | B | Type | Score |
|---|---|---|---|
| NDUFS3 | NDUFS8 | psi-mi:“MI:0914”(association) | 0.730 |
| NDUFS6 | NDUFS8 | psi-mi:“MI:0914”(association) | 0.640 |
| NDUFB5 | NDUFB3 | psi-mi:“MI:0914”(association) | 0.640 |
| NDUFAF4 | NDUFS8 | psi-mi:“MI:0914”(association) | 0.640 |
| NDUFA13 | NDUFS8 | psi-mi:“MI:0914”(association) | 0.640 |
| NDUFA9 | NDUFS4 | psi-mi:“MI:0914”(association) | 0.640 |
| NDUFA9 | NDUFS8 | psi-mi:“MI:0914”(association) | 0.530 |
| C3AR1 | TMEM120B | psi-mi:“MI:0914”(association) | 0.530 |
| NDUFA8 | NDUFS8 | psi-mi:“MI:0914”(association) | 0.530 |
| ECSIT | NDUFS8 | psi-mi:“MI:0914”(association) | 0.530 |
| SPPL2B | UQCRQ | psi-mi:“MI:0914”(association) | 0.530 |
| NDUFV2 | NDUFS8 | psi-mi:“MI:0914”(association) | 0.530 |
| NDUFC2 | NDUFS4 | psi-mi:“MI:0914”(association) | 0.530 |
| DNAJC30 | NDUFS8 | psi-mi:“MI:0914”(association) | 0.530 |
| FER1L5 | psi-mi:“MI:0915”(physical association) | 0.400 | |
| NDUFB1 | NDUFS5 | psi-mi:“MI:0915”(physical association) | 0.400 |
| EWSR1 | NDUFB1 | psi-mi:“MI:0915”(physical association) | 0.370 |
| NDUFA5 | NDUFB1 | psi-mi:“MI:0915”(physical association) | 0.370 |
BioGRID (93): NDUFB1 (Affinity Capture-MS), NDUFB1 (Affinity Capture-MS), NDUFB1 (Affinity Capture-MS), NDUFB1 (Two-hybrid), NDUFB1 (Two-hybrid), NDUFB1 (Affinity Capture-MS), NDUFB1 (Affinity Capture-MS), NDUFB1 (Affinity Capture-MS), NDUFB1 (Affinity Capture-MS), NDUFB1 (Affinity Capture-MS), NDUFB1 (Affinity Capture-MS), NDUFB1 (Affinity Capture-MS), NDUFB1 (Affinity Capture-MS), NDUFB1 (Affinity Capture-MS), NDUFB1 (Affinity Capture-MS)
ESM2 similar proteins: A0A096LP01, A6ZLK2, A6ZRY0, A7EJE5, A7TMN2, A7TN96, B3LMP9, B3LNV9, B5VQU2, C4XVW1, C5DDY0, C5DGX3, C5DQ18, C5DRK2, C5DRL9, C5E0J8, C5E381, C7GMW8, C7GR78, D3UF10, G2TRM8, O74383, O75438, P0CB73, P0CB74, P0DN34, P0DN35, P26310, P34526, P38341, P46998, P50087, P50945, P53224, Q02378, Q0MQC5, Q0MQC6, Q12082, Q6CLL5, Q6CTE6
Diamond homologs: O75438, P0CB73, P0CB74, P0DN34, P0DN35, Q02378, Q0MQC5, Q0MQC6
SIGNOR signaling
1 interactions.
| A | Effect | B | Mechanism |
|---|---|---|---|
| NDUFB1 | “form complex” | “NADH-ubiquinone oxidoreductase-Mitochondrial respiratory chain complex I” | binding |
Enriched among interaction partners
Reactome pathways and GO biological processes over-represented among this gene’s 45 IntAct physical interaction partners (hypergeometric vs the genome-wide background, BH-FDR, gene-set size 15–500, ranked by fold). A functional readout of the neighbourhood — distinct from this gene’s own memberships above, and biased toward well-studied / hub proteins, so read it as themes rather than proof.
Reactome pathways:
| Pathway | Partners | Fold | FDR |
|---|---|---|---|
| Complex I biogenesis | 22 | 110.3× | 4e-41 |
| Respiratory electron transport | 22 | 63.4× | 2e-35 |
| Aerobic respiration and respiratory electron transport | 20 | 53.6× | 2e-30 |
GO biological processes:
| GO term | Partners | Fold | FDR |
|---|---|---|---|
| mitochondrial electron transport, NADH to ubiquinone | 17 | 156.3× | 3e-33 |
| proton motive force-driven mitochondrial ATP synthesis | 19 | 128.3× | 5e-35 |
| aerobic respiration | 19 | 120.7× | 1e-34 |
| mitochondrial respiratory chain complex I assembly | 10 | 105.4× | 5e-17 |
Disease & clinical
Clinical variants and AI predictions
ClinVar
12 variants total. Per-class counts are floors (≥ shown; pagination cap):
| Classification | Count (floor) |
|---|---|
| Pathogenic | 0 |
| Likely pathogenic | 0 |
| Uncertain significance | 8 |
| Likely benign | 0 |
| Benign | 0 |
Top pathogenic / likely-pathogenic (0)
SpliceAI
510 predictions. Top by Δscore:
| Variant | Effect | Δscore |
|---|---|---|
| 14:92117493:CTAA:C | donor_loss | 1.0000 |
| 14:92117494:TAA:T | donor_loss | 1.0000 |
| 14:92117496:A:AG | donor_loss | 1.0000 |
| 14:92117497:C:CA | donor_loss | 1.0000 |
| 14:92117512:A:AC | donor_gain | 1.0000 |
| 14:92117513:C:CC | donor_gain | 1.0000 |
| 14:92117513:CT:C | donor_gain | 1.0000 |
| 14:92117640:TAG:T | acceptor_gain | 1.0000 |
| 14:92117643:C:CC | acceptor_gain | 1.0000 |
| 14:92116226:TTCC:T | acceptor_gain | 0.9900 |
| 14:92116227:TCC:T | acceptor_gain | 0.9900 |
| 14:92116228:CC:C | acceptor_gain | 0.9900 |
| 14:92116228:CCC:C | acceptor_gain | 0.9900 |
| 14:92116229:CC:C | acceptor_gain | 0.9900 |
| 14:92116230:C:A | acceptor_loss | 0.9900 |
| 14:92116242:C:CT | acceptor_gain | 0.9900 |
| 14:92116243:A:T | acceptor_gain | 0.9900 |
| 14:92117638:GATAG:G | acceptor_gain | 0.9900 |
| 14:92117641:AG:A | acceptor_gain | 0.9900 |
| 14:92117642:GCTAA:G | acceptor_loss | 0.9900 |
| 14:92117644:T:A | acceptor_loss | 0.9900 |
| 14:92121779:C:CT | donor_gain | 0.9900 |
| 14:92121780:T:TT | donor_gain | 0.9900 |
| 14:92116225:ATTCC:A | acceptor_gain | 0.9800 |
| 14:92116230:C:CC | acceptor_gain | 0.9800 |
| 14:92116232:G:C | acceptor_gain | 0.9800 |
| 14:92116234:G:GC | acceptor_gain | 0.9800 |
| 14:92117639:ATAG:A | acceptor_gain | 0.9800 |
| 14:92121694:AAC:A | donor_gain | 0.9800 |
| 14:92121720:TCGGG:T | donor_gain | 0.9800 |
AlphaMissense
381 scored. Top likely-pathogenic:
| Variant | Protein change | am_pathogenicity |
|---|---|---|
| 14:92117524:G:C | F38L | 0.816 |
| 14:92117524:G:T | F38L | 0.816 |
| 14:92117526:A:G | F38L | 0.816 |
| 14:92117575:A:C | F21L | 0.808 |
| 14:92117575:A:T | F21L | 0.808 |
| 14:92117577:A:G | F21L | 0.808 |
| 14:92117512:A:C | S42R | 0.766 |
| 14:92117512:A:T | S42R | 0.766 |
| 14:92117514:T:G | S42R | 0.766 |
| 14:92117503:A:C | F45L | 0.761 |
| 14:92117503:A:T | F45L | 0.761 |
| 14:92117505:A:G | F45L | 0.761 |
| 14:92117573:A:T | V22D | 0.739 |
| 14:92117580:C:G | G20R | 0.691 |
| 14:92117580:C:T | G20R | 0.691 |
| 14:92116229:C:A | R47S | 0.679 |
| 14:92116229:C:G | R47S | 0.679 |
| 14:92117588:A:T | V17D | 0.621 |
| 14:92116196:C:A | K58N | 0.578 |
| 14:92116196:C:G | K58N | 0.578 |
| 14:92117567:C:T | G24E | 0.571 |
| 14:92117507:A:G | L44S | 0.567 |
| 14:92117602:C:A | W12C | 0.566 |
| 14:92117602:C:G | W12C | 0.566 |
dbSNP variants (sampled 300 via entrez): RS1000066590 (14:92122001 C>G,T), RS1001472705 (14:92121377 C>G), RS1001524836 (14:92121682 A>C), RS1001573905 (14:92117459 A>G), RS1001686258 (14:92123099 T>C), RS1001735421 (14:92116082 C>T), RS1001809471 (14:92122439 A>C), RS1002083020 (14:92115822 A>C), RS1002784768 (14:92121711 G>A,T), RS1003094409 (14:92122006 G>A,C,T), RS1004237410 (14:92122029 C>G,T), RS1005066000 (14:92117846 A>C,G), RS1005130171 (14:92123359 C>T), RS1005359661 (14:92118123 T>C), RS1005954623 (14:92116800 T>C)
Disease associations
OMIM: gene MIM:603837 | disease phenotypes:
GenCC curated gene-disease
Mondo (0):
Orphanet (0):
HPO phenotypes
0 total (0 of 0 shown, HPO-id order):
GWAS associations
3 associations (top):
| Study | Trait | p-value |
|---|---|---|
| GCST006291_57 | Spherical equivalent or myopia (age of diagnosis) | 7.000000e-11 |
| GCST009614_3 | LDL cholesterol levels x loop diuretics use interaction | 4.000000e-07 |
| GCST010002_158 | Refractive error | 4.000000e-24 |
EFO canonical traits (2, from GWAS)
| EFO ID | Trait name |
|---|---|
| EFO:0004847 | age at onset |
| EFO:0004611 | low density lipoprotein cholesterol measurement |
Drugs & pharmacology
Drug and pharmacology data
Is drug target: yes
ChEMBL targets (1): CHEMBL2363065 (PROTEIN COMPLEX)
PharmGKB: 1 entry (VIP=true, CPIC=false)
ChEMBL bioactivities
8 potent at pChembl≥5 of 18 total, top 8 by pChembl (potency: 10 = 0.1 nM, 6 = 1 µM).
| pChembl | Type | Value | Unit | Molecule |
|---|---|---|---|---|
| 6.06 | IC50 | 870 | nM | R-(+)-MARMIN-6’-UNDECANOATE |
| 6.04 | IC50 | 920 | nM | R-(+)-MARMIN-6’-LINOLEATE |
| 5.63 | IC50 | 2350 | nM | R-(+)-MARMIN-6’-LINOLEATE |
| 5.51 | IC50 | 3080 | nM | R-(+)-MARMIN-6’-OCTANOATE |
| 5.43 | IC50 | 3670 | nM | R-(+)-MARMIN-6’-UNDECANOATE |
| 5.43 | IC50 | 3710 | nM | R-(+)-MARMIN-6’-OCTANOATE |
| 5.31 | IC50 | 4900 | nM | (+)-9’-ISOVALEROXYLARICIRESINOL |
| 5.04 | IC50 | 9100 | nM | (+)-9’-ISOVALEROXYLARICIRESINOL |
PubChem BioAssay actives
8 with measured affinity, of 28 total; 4 most potent distinct compounds. Largely complementary to BindingDB; screening values are coarse (µM, 4 dp), so sub-nM hits tie at the floor.
| Compound | Assay | Type | Value | Unit |
|---|---|---|---|---|
| [(E,3R)-2-hydroxy-2,6-dimethyl-8-(2-oxochromen-7-yl)oxyoct-6-en-3-yl] undecanoate | 739270: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay | ic50 | 0.8700 | uM |
| [(E,3R)-2-hydroxy-2,6-dimethyl-8-(2-oxochromen-7-yl)oxyoct-6-en-3-yl] (9Z,12Z)-octadeca-9,12-dienoate | 739270: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay | ic50 | 0.9200 | uM |
| [(E,3R)-2-hydroxy-2,6-dimethyl-8-(2-oxochromen-7-yl)oxyoct-6-en-3-yl] octanoate | 739270: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay | ic50 | 3.0800 | uM |
| [(2S,3R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl 3-methylbutanoate | 739269: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay | ic50 | 4.9000 | uM |
CTD chemical–gene interactions
55 total (human), top 30 by PubMed support.
| Chemical | Actions (top 5) | PubMed papers |
|---|---|---|
| Acetaminophen | decreases expression, increases expression, affects cotreatment | 4 |
| bisphenol A | affects expression, decreases expression, increases expression | 3 |
| methylmercuric chloride | increases expression, decreases expression | 2 |
| mercuric bromide | affects cotreatment, decreases expression | 2 |
| entinostat | decreases expression, affects cotreatment | 2 |
| Panobinostat | affects cotreatment, decreases expression | 2 |
| Air Pollutants | affects expression, increases abundance, decreases expression | 2 |
| Phenylmercuric Acetate | affects cotreatment, decreases expression | 2 |
| Cyclosporine | decreases expression | 2 |
| p-Chloromercuribenzoic Acid | affects cotreatment, decreases expression | 2 |
| aristolochic acid I | decreases expression | 1 |
| bisphenol F | affects cotreatment, increases expression | 1 |
| dicrotophos | decreases expression | 1 |
| triphenyl phosphate | affects expression | 1 |
| arsenite | increases reaction, affects binding | 1 |
| tris(1,3-dichloro-2-propyl)phosphate | decreases expression | 1 |
| sodium arsenite | increases expression | 1 |
| cobaltous chloride | decreases expression | 1 |
| perfluorooctanoic acid | decreases expression | 1 |
| acipimox | decreases expression | 1 |
| CGP 52608 | affects binding, increases reaction | 1 |
| perfluoro-n-nonanoic acid | decreases expression | 1 |
| OSW 1 | increases expression | 1 |
| corosolic acid | decreases expression | 1 |
| K 7174 | decreases expression | 1 |
| 4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide | affects cotreatment, decreases expression | 1 |
| dorsomorphin | affects cotreatment, decreases expression | 1 |
| Resveratrol | affects cotreatment, increases expression | 1 |
| Sunitinib | decreases expression | 1 |
| Atrazine | decreases expression | 1 |
ChEMBL screening assays
4 unique, capped per target: 4 binding
Representative assays (with source publication via chembl_document):
| Assay ID | Type | Description | Source paper |
|---|---|---|---|
| CHEMBL2353025 | Binding | Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation at 30 uM incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay | Semisynthetic studies identify mitochondria poisons from botanical dietary supplements–geranyloxycoumarins from Aegle marmelos. — Bioorg Med Chem |
Cellosaurus cell lines
1 cell lines: 1 transformed cell line
First 10 cell lines (id-ordered, not curated):
| Cellosaurus | Name | Category | Sex |
|---|---|---|---|
| CVCL_B3C4 | Abcam HEK293T NDUFB1 KO | Transformed cell line | Female |
Clinical trials (associated diseases)
0 trials via MONDO — disease-level, not drug-specific.
Related Atlas pages
No linked Atlas pages yet — the cross-entity mesh grows as the corpus expands.