NDUFB2
gene geneOn this page
Also known as AGGGCI-AGGG
Summary
NDUFB2 (NADH:ubiquinone oxidoreductase subunit B2, HGNC:7697) is a protein-coding gene on chromosome 7q34, encoding NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 2, mitochondrial (O95178). 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: 19.0% of cell lines).
The protein encoded by this gene is a subunit of the multisubunit NADH:ubiquinone oxidoreductase (complex I). Mammalian complex I is composed of 45 different subunits. This protein has NADH dehydrogenase activity and oxidoreductase activity. It plays a important role in transfering electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone. Hydropathy analysis revealed that this subunit and 4 other subunits have an overall hydrophilic pattern, even though they are found within the hydrophobic protein (HP) fraction of complex I.
Source: NCBI Gene 4708 — RefSeq curated summary.
At a glance
- Clinical variants (ClinVar): 18 total
- Druggable target: yes
- Cancer dependency (DepMap): dependent in 19.0% of screened cell lines
- MANE Select transcript:
NM_004546
Identifiers
Gene identifiers
| Field | Value |
|---|---|
| HGNC ID | HGNC:7697 |
| Approved symbol | NDUFB2 |
| Name | NADH:ubiquinone oxidoreductase subunit B2 |
| Location | 7q34 |
| Locus type | gene with protein product |
| Status | Approved |
| Aliases | AGGG, CI-AGGG |
| Ensembl gene | ENSG00000090266 |
| Ensembl biotype | protein_coding |
| OMIM | 603838 |
| Entrez | 4708 |
Gene structure
Transcript identifiers
Ensembl transcripts: 29 — 25 protein_coding, 2 protein_coding_CDS_not_defined, 1 nonsense_mediated_decay, 1 retained_intron
ENST00000247866, ENST00000460088, ENST00000461457, ENST00000462847, ENST00000464564, ENST00000464566, ENST00000465506, ENST00000471136, ENST00000472695, ENST00000475276, ENST00000476181, ENST00000476279, ENST00000476470, ENST00000479181, ENST00000482954, ENST00000882733, ENST00000882734, ENST00000882735, ENST00000931392, ENST00000931393, ENST00000931394, ENST00000931395, ENST00000931396, ENST00000931397, ENST00000931398, ENST00000931399, ENST00000931400, ENST00000948626, ENST00000948627
RefSeq mRNA: 1 — MANE Select: NM_004546
NM_004546
CCDS: CCDS5862
Canonical transcript exons
ENST00000247866 — 4 exons
| Exon | Start | End |
|---|---|---|
| ENSE00001838830 | 140706563 | 140706643 |
| ENSE00001920266 | 140696708 | 140696842 |
| ENSE00003632160 | 140704860 | 140704963 |
| ENSE00003668515 | 140702866 | 140703010 |
Expression profiles
Bgee: expression breadth ubiquitous, 288 present calls, max score 99.72.
FANTOM5 (CAGE): breadth ubiquitous, TPM avg 55.8522 / max 425.0696, expressed in 1821 samples.
FANTOM5 promoters (3 alternative TSS)
| Promoter ID | TPM avg | Samples expressed |
|---|---|---|
| 81509 | 53.2775 | 1821 |
| 81510 | 1.8494 | 1129 |
| 81511 | 0.7254 | 464 |
Top tissues by expression
288 total, by Bgee expression score (0-100, higher = more expressed):
| Tissue | Anatomy ID | Expression score | Quality |
|---|---|---|---|
| apex of heart | UBERON:0002098 | 99.72 | gold quality |
| heart right ventricle | UBERON:0002080 | 99.48 | gold quality |
| right lobe of thyroid gland | UBERON:0001119 | 99.42 | gold quality |
| nephron tubule | UBERON:0001231 | 99.40 | gold quality |
| right atrium auricular region | UBERON:0006631 | 99.39 | gold quality |
| prefrontal cortex | UBERON:0000451 | 99.37 | gold quality |
| left lobe of thyroid gland | UBERON:0001120 | 99.36 | gold quality |
| renal glomerulus | UBERON:0000074 | 99.33 | gold quality |
| metanephric glomerulus | UBERON:0004736 | 99.33 | gold quality |
| endothelial cell | CL:0000115 | 99.31 | gold quality |
| mucosa of transverse colon | UBERON:0004991 | 99.30 | gold quality |
| nucleus accumbens | UBERON:0001882 | 99.28 | gold quality |
| thyroid gland | UBERON:0002046 | 99.27 | gold quality |
| diaphragm | UBERON:0001103 | 99.26 | gold quality |
| caudate nucleus | UBERON:0001873 | 99.23 | gold quality |
| putamen | UBERON:0001874 | 99.23 | gold quality |
| skeletal muscle tissue of rectus abdominis | UBERON:0004511 | 99.23 | gold quality |
| Brodmann (1909) area 9 | UBERON:0013540 | 99.23 | gold quality |
| renal medulla | UBERON:0000362 | 99.22 | gold quality |
| cardiac ventricle | UBERON:0002082 | 99.21 | gold quality |
| C1 segment of cervical spinal cord | UBERON:0006469 | 99.21 | gold quality |
| metanephros cortex | UBERON:0010533 | 99.21 | gold quality |
| heart left ventricle | UBERON:0002084 | 99.20 | gold quality |
| body of tongue | UBERON:0011876 | 99.19 | gold quality |
| cortex of kidney | UBERON:0001225 | 99.18 | gold quality |
| parotid gland | UBERON:0001831 | 99.18 | gold quality |
| right frontal lobe | UBERON:0002810 | 99.18 | gold quality |
| cervix squamous epithelium | UBERON:0006922 | 99.17 | gold quality |
| biceps brachii | UBERON:0001507 | 99.16 | gold quality |
| cingulate cortex | UBERON:0003027 | 99.16 | gold quality |
Single-cell (SCXA)
Detected in 7 experiment(s), a significant marker in 6.
| Experiment | Marker? | Max mean expression |
|---|---|---|
| E-ENAD-20 | yes | 1122.89 |
| E-MTAB-7316 | yes | 24.28 |
| E-HCAD-10 | yes | 12.03 |
| E-MTAB-10042 | yes | 11.80 |
| E-CURD-112 | yes | 9.71 |
| E-MTAB-10596 | no | 885.49 |
| E-ANND-3 | no | 0.00 |
Regulation
Is transcription factor: no
miRNA regulators (miRDB)
20 targeting NDUFB2, top 30 by miRDB confidence (max_score; target_count = how many genes the miRNA targets in total — lower means more specific):
| miRNA | Max score | Avg score | miRNA target_count |
|---|---|---|---|
| HSA-MIR-4775 | 99.98 | 75.00 | 6394 |
| HSA-MIR-19A-3P | 99.98 | 75.33 | 2762 |
| HSA-MIR-19B-3P | 99.98 | 75.44 | 2754 |
| HSA-MIR-493-5P | 99.96 | 72.47 | 2382 |
| HSA-LET-7A-2-3P | 99.87 | 70.53 | 1921 |
| HSA-LET-7G-3P | 99.85 | 70.43 | 1929 |
| HSA-MIR-6758-3P | 99.57 | 67.55 | 1078 |
| HSA-MIR-4797-5P | 99.39 | 68.01 | 1354 |
| HSA-MIR-4316 | 99.37 | 65.75 | 1360 |
| HSA-MIR-149-5P | 99.25 | 67.16 | 1315 |
| HSA-MIR-485-5P | 99.10 | 64.78 | 1889 |
| HSA-MIR-6884-5P | 99.10 | 64.50 | 1987 |
| HSA-MIR-500A-5P | 98.76 | 69.13 | 1241 |
| HSA-MIR-6784-3P | 98.39 | 64.88 | 662 |
| HSA-MIR-6862-3P | 97.92 | 64.86 | 531 |
| HSA-MIR-6765-3P | 97.83 | 64.59 | 1165 |
| HSA-MIR-6511A-3P | 97.60 | 66.61 | 713 |
| HSA-MIR-6511B-3P | 97.60 | 66.61 | 713 |
| HSA-MIR-362-5P | 95.87 | 66.02 | 554 |
| HSA-MIR-500B-5P | 95.87 | 66.04 | 557 |
Functional genomics
DepMap (CRISPR cell-line fitness): dependent in 19.0% of screened cell lines.
Literature-anchored findings (GeneRIF, showing 2)
- NADH:ubiquinone oxidoreductase gene may have a role in the regulation of molecular changes during the global cardiac ischemia/reperfusion injury during CPB (PMID:14718445)
- Association of abnormal NDUFB2 and UQCRH expression with venous thromboembolism in patients with liver cirrhosis. (PMID:38181234)
Cross-species orthologs
5 orthologs
| Organism | Symbol | Gene ID |
|---|---|---|
| danio_rerio | ndufb2 | ENSDARG00000045490 |
| mus_musculus | Ndufb2 | ENSMUSG00000002416 |
| rattus_norvegicus | Ndufb2 | ENSRNOG00000026616 |
| rattus_norvegicus | Ndufb2 | ENSRNOG00000084454 |
| caenorhabditis_elegans | WBGENE00009712 |
Protein
Protein identifiers
NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 2, mitochondrial — O95178 (reviewed: O95178)
Alternative names: Complex I-AGGG, NADH-ubiquinone oxidoreductase AGGG subunit
All UniProt accessions (8): O95178, A4D1T5, C9IZW8, C9IZZ2, C9JRV4, C9JXM4, F8WCJ6, H7C5B8
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 NDUFB2 subunit family.
RefSeq proteins (1): NP_004537* (*=MANE)
Domains & families (InterPro)
| ID | Name | Type |
|---|---|---|
| IPR026627 | NDUFB2_animal | Family |
Pfam: PF14813
UniProt features (4 total): transit peptide 1, chain 1, region of interest 1, compositionally biased region 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-O95178-F1 | 73.56 | 0.20 |
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: 211 (showing top):
ATF_B, MODY_HIPPOCAMPUS_POSTNATAL, STARK_PREFRONTAL_CORTEX_22Q11_DELETION_DN, GRAESSMANN_APOPTOSIS_BY_SERUM_DEPRIVATION_UP, 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 (4): mitochondrial electron transport, NADH to ubiquinone (GO:0006120), aerobic respiration (GO:0009060), proton motive force-driven mitochondrial ATP synthesis (GO:0042776), proton transmembrane transport (GO:1902600)
GO Molecular Function (1): NADH dehydrogenase (ubiquinone) activity (GO:0008137)
GO Cellular Component (4): mitochondrion (GO:0005739), mitochondrial inner membrane (GO:0005743), respiratory chain complex I (GO:0045271), 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 |
| 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 |
| NADH dehydrogenase complex | 1 |
| respiratory chain complex | 1 |
| transmembrane transporter complex | 1 |
| cellular anatomical structure | 1 |
Protein interactions and networks
STRING
822 interactions, top by confidence (×1000):
| Protein A | Protein B | Partner UniProt | Score |
|---|---|---|---|
| NDUFB2 | NDUFB4 | O95168 | 973 |
| NDUFB2 | NDUFA10 | O95299 | 918 |
| NDUFB2 | NDUFB10 | O96000 | 917 |
| NDUFB2 | MRPS33 | Q9Y291 | 875 |
| NDUFB2 | NDUFA7 | O95182 | 856 |
| NDUFB2 | NDUFB3 | O43676 | 846 |
| NDUFB2 | NDUFB7 | P17568 | 829 |
| NDUFB2 | NDUFA2 | O43678 | 817 |
| NDUFB2 | NDUFB9 | Q9Y6M9 | 813 |
| NDUFB2 | NDUFAB1 | O14561 | 807 |
| NDUFB2 | NDUFB8 | O95169 | 778 |
| NDUFB2 | NDUFC1 | O43677 | 721 |
| NDUFB2 | NDUFB5 | O43674 | 685 |
| NDUFB2 | COXFA4 | O00483 | 672 |
| NDUFB2 | NDUFS5 | O43920 | 669 |
IntAct
6 interactions, top by confidence:
| A | B | Type | Score |
|---|---|---|---|
| NDUFB2 | PFKM | psi-mi:“MI:0915”(physical association) | 0.370 |
| NDUFA6 | NDUFS8 | psi-mi:“MI:0914”(association) | 0.350 |
| NDUFA7 | NDUFS8 | psi-mi:“MI:0914”(association) | 0.350 |
| NDUFV3 | NDUFS8 | psi-mi:“MI:0914”(association) | 0.350 |
| NDUFA1 | NDUFS8 | psi-mi:“MI:0914”(association) | 0.350 |
BioGRID (30): NDUFB2 (Negative Genetic), NDUFB2 (Positive Genetic), NDUFB2 (Positive Genetic), NDUFB2 (Negative Genetic), NDUFB2 (Negative Genetic), NDUFB2 (Negative Genetic), NDUFB2 (Negative Genetic), NDUFB2 (Positive Genetic), NDUFB2 (Negative Genetic), NDUFB2 (Positive Genetic), NDUFB2 (Positive Genetic), NDUFB2 (Positive Genetic), NUP54 (Negative Genetic), PGK1 (Negative Genetic), PSMC6 (Negative Genetic)
ESM2 similar proteins: A3KP48, A8WGU8, O09111, O43674, O95169, O95178, P0C2B7, P0C2B9, P0CB69, P0CB70, P0CB85, P0CB86, P82649, P82927, P83565, Q02372, Q02380, Q0MQC7, Q0MQC9, Q0MQD6, Q0MQD7, Q0MQD8, Q0MQE6, Q0MQE7, Q0MQF5, Q0MQJ3, Q0MQJ4, Q0MQJ5, Q29259, Q2NKR7, Q4G0I0, Q4QQV3, Q4R4E0, Q5R4S3, Q5R504, Q5RFR4, Q6DQX6, Q6RUT7, Q8HXG5, Q96A26
Diamond homologs: O95178, Q02374, Q0MQC7, Q0MQC8, Q0MQC9, Q20412, Q9CPU2, Q61Z75
SIGNOR signaling
1 interactions.
| A | Effect | B | Mechanism |
|---|---|---|---|
| NDUFB2 | “form complex” | “NADH-ubiquinone oxidoreductase-Mitochondrial respiratory chain complex I” | binding |
Disease & clinical
Clinical variants and AI predictions
ClinVar
18 variants total. Per-class counts are floors (≥ shown; pagination cap):
| Classification | Count (floor) |
|---|---|
| Pathogenic | 0 |
| Likely pathogenic | 0 |
| Uncertain significance | 10 |
| Likely benign | 0 |
| Benign | 0 |
Top pathogenic / likely-pathogenic (0)
SpliceAI
1204 predictions. Top by Δscore:
| Variant | Effect | Δscore |
|---|---|---|
| 7:140692026:GCACT:G | donor_gain | 1.0000 |
| 7:140696835:GTCC:G | donor_gain | 1.0000 |
| 7:140696839:GTCA:G | donor_gain | 1.0000 |
| 7:140696843:G:GG | donor_gain | 1.0000 |
| 7:140702864:AGT:A | acceptor_gain | 1.0000 |
| 7:140702865:GT:G | acceptor_gain | 1.0000 |
| 7:140702865:GTG:G | acceptor_gain | 1.0000 |
| 7:140702865:GTGCC:G | acceptor_gain | 1.0000 |
| 7:140703007:GCTG:G | donor_gain | 1.0000 |
| 7:140703008:CTGGT:C | donor_loss | 1.0000 |
| 7:140703010:GGT:G | donor_loss | 1.0000 |
| 7:140703011:G:GG | donor_gain | 1.0000 |
| 7:140703011:GTAA:G | donor_loss | 1.0000 |
| 7:140704964:G:GG | donor_gain | 1.0000 |
| 7:140690810:CAAG:C | donor_loss | 0.9900 |
| 7:140690811:AAGGT:A | donor_loss | 0.9900 |
| 7:140690812:AGG:A | donor_loss | 0.9900 |
| 7:140690813:GGTGA:G | donor_loss | 0.9900 |
| 7:140690815:T:A | donor_loss | 0.9900 |
| 7:140692030:T:G | donor_gain | 0.9900 |
| 7:140694655:T:TA | acceptor_gain | 0.9900 |
| 7:140694659:CCAG:C | acceptor_loss | 0.9900 |
| 7:140694660:CAG:C | acceptor_loss | 0.9900 |
| 7:140694661:A:AG | acceptor_gain | 0.9900 |
| 7:140694661:AGGT:A | acceptor_loss | 0.9900 |
| 7:140694662:G:GG | acceptor_gain | 0.9900 |
| 7:140694662:GGT:G | acceptor_gain | 0.9900 |
| 7:140694662:GGTAA:G | acceptor_gain | 0.9900 |
| 7:140696840:TCA:T | donor_gain | 0.9900 |
| 7:140697445:A:T | donor_gain | 0.9900 |
AlphaMissense
680 scored. Top likely-pathogenic:
| Variant | Protein change | am_pathogenicity |
|---|---|---|
| 7:140704892:G:C | W92C | 0.985 |
| 7:140704892:G:T | W92C | 0.985 |
| 7:140704890:T:A | W92R | 0.983 |
| 7:140704890:T:C | W92R | 0.983 |
| 7:140702963:T:A | W66R | 0.981 |
| 7:140702963:T:C | W66R | 0.981 |
| 7:140704912:T:C | I99T | 0.977 |
| 7:140704866:T:C | F84L | 0.968 |
| 7:140704868:T:A | F84L | 0.968 |
| 7:140704868:T:G | F84L | 0.968 |
| 7:140702966:T:C | F67L | 0.966 |
| 7:140702968:C:A | F67L | 0.966 |
| 7:140702968:C:G | F67L | 0.966 |
| 7:140702902:A:C | R45S | 0.964 |
| 7:140702902:A:T | R45S | 0.964 |
| 7:140704906:T:C | L97S | 0.964 |
| 7:140702969:T:A | W68R | 0.963 |
| 7:140702969:T:C | W68R | 0.963 |
| 7:140704908:G:C | G98R | 0.961 |
| 7:140704912:T:G | I99S | 0.960 |
| 7:140704909:G:T | G98V | 0.958 |
| 7:140704891:G:C | W92S | 0.957 |
| 7:140702973:T:C | I69T | 0.956 |
| 7:140702901:G:T | R45I | 0.955 |
| 7:140704860:G:C | G82R | 0.950 |
| 7:140702951:A:C | S62R | 0.949 |
| 7:140702953:C:A | S62R | 0.949 |
| 7:140702953:C:G | S62R | 0.949 |
| 7:140702901:G:C | R45T | 0.947 |
| 7:140702954:G:A | G63R | 0.944 |
dbSNP variants (sampled 300 via entrez): RS1000223200 (7:140703929 A>G,T), RS1000324933 (7:140703527 A>G), RS1000636390 (7:140696975 G>A), RS1001017675 (7:140698862 A>T), RS1001153270 (7:140699086 A>G), RS1001279069 (7:140702163 T>A,C), RS1001537819 (7:140698440 A>G), RS1001611709 (7:140698130 A>G), RS1001830538 (7:140703992 T>A,C), RS1001876509 (7:140699988 T>C), RS1002062477 (7:140703848 T>C), RS1002110162 (7:140705891 G>C,T), RS1002281672 (7:140703563 C>T), RS1002565658 (7:140705541 G>A,T), RS1002753072 (7:140695468 C>T)
Disease associations
OMIM: gene MIM:603838 | disease phenotypes:
GenCC curated gene-disease
Mondo (0):
Orphanet (0):
HPO phenotypes
0 total (0 of 0 shown, HPO-id order):
GWAS associations
0 associations (top):
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
51 total (human), top 30 by PubMed support.
| Chemical | Actions (top 5) | PubMed papers |
|---|---|---|
| Valproic Acid | affects expression, decreases expression, increases methylation, affects cotreatment, increases expression | 3 |
| bisphenol A | decreases expression, affects expression | 2 |
| sodium arsenite | affects cotreatment, increases abundance, increases expression | 2 |
| Cisplatin | increases expression | 2 |
| bisphenol F | affects cotreatment, increases expression | 1 |
| dicrotophos | decreases expression | 1 |
| beta-lapachone | decreases expression, increases expression | 1 |
| arsenite | affects binding, increases reaction | 1 |
| methylparaben | decreases expression | 1 |
| tris(1,3-dichloro-2-propyl)phosphate | decreases expression | 1 |
| cobaltous chloride | decreases expression | 1 |
| tanshinone | increases expression | 1 |
| manganese chloride | affects cotreatment, increases abundance, increases expression | 1 |
| ochratoxin A | increases expression | 1 |
| tris(chloroethyl)phosphate | decreases expression, increases abundance | 1 |
| di-n-butylphosphoric acid | affects expression | 1 |
| CGP 52608 | increases reaction, affects binding | 1 |
| chloropicrin | increases expression | 1 |
| bisphenol S | affects cotreatment, increases expression | 1 |
| Fulvestrant | increases methylation | 1 |
| Acetaminophen | increases expression | 1 |
| Air Pollutants | decreases expression, increases abundance | 1 |
| Arsenic | increases expression, affects cotreatment, increases abundance | 1 |
| Atrazine | decreases expression | 1 |
| Cadmium | increases expression, increases abundance | 1 |
| Dexamethasone | affects cotreatment, increases expression | 1 |
| Doxorubicin | decreases expression | 1 |
| Estradiol | decreases expression | 1 |
| Flame Retardants | decreases expression, increases abundance | 1 |
| Fluorouracil | increases 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 |
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.