NDUFV3

Summary

NDUFV3 (NADH:ubiquinone oxidoreductase subunit V3, HGNC:7719) is a protein-coding gene on chromosome 21q22.3, encoding NADH dehydrogenase [ubiquinone] flavoprotein 3, mitochondrial (P56181). Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis.

The protein encoded by this gene is one of at least forty-one subunits that make up the NADH-ubiquinone oxidoreductase complex. This complex is part of the mitochondrial respiratory chain and serves to catalyze the rotenone-sensitive oxidation of NADH and the reduction of ubiquinone. The encoded protein is one of three proteins found in the flavoprotein fraction of the complex. The specific function of the encoded protein is unknown. Two transcript variants encoding different isoforms have been found for this gene.

Source: NCBI Gene 4731 — RefSeq curated summary.

At a glance

• Clinical variants (ClinVar): 110 total — 1 pathogenic
• Druggable target: yes
• MANE Select transcript: NM_021075

Identifiers

Gene identifiers

Field	Value
HGNC ID	HGNC:7719
Approved symbol	NDUFV3
Name	NADH:ubiquinone oxidoreductase subunit V3
Location	21q22.3
Locus type	gene with protein product
Status	Approved
Aliases	CI-10k
Ensembl gene	ENSG00000160194
Ensembl biotype	protein_coding
OMIM	602184
Entrez	4731

Gene structure

Transcript identifiers

Ensembl transcripts: 7 — 5 protein_coding, 2 protein_coding_CDS_not_defined

ENST00000340344, ENST00000354250, ENST00000460259, ENST00000460740, ENST00000912633, ENST00000942160, ENST00000942161

RefSeq mRNA: 2 — MANE Select: NM_021075 NM_001001503, NM_021075

CCDS: CCDS33572, CCDS33573

Canonical transcript exons

ENST00000354250 — 4 exons

Exon	Start	End
ENSE00001947597	42893309	42893381
ENSE00003589387	42903182	42904276
ENSE00003614580	42908864	42913299
ENSE00003679113	42896927	42897047

Expression profiles

Bgee: expression breadth ubiquitous, 254 present calls, max score 99.47.

FANTOM5 (CAGE): breadth ubiquitous, TPM avg 150.4613 / max 1376.8191, expressed in 1828 samples.

FANTOM5 promoters (4 alternative TSS)

Promoter ID	TPM avg	Samples expressed
189344	135.0238	1828
189343	12.5129	1773
189341	2.4895	788
189342	0.4351	192

Top tissues by expression

255 total, by Bgee expression score (0-100, higher = more expressed):

Tissue	Anatomy ID	Expression score	Quality
left ventricle myocardium	UBERON:0006566	99.47	gold quality
heart right ventricle	UBERON:0002080	99.33	gold quality
myocardium	UBERON:0002349	99.33	gold quality
cardiac muscle of right atrium	UBERON:0003379	99.16	gold quality
tibialis anterior	UBERON:0001385	99.01	gold quality
vastus lateralis	UBERON:0001379	98.41	gold quality
biceps brachii	UBERON:0001507	98.37	gold quality
kidney epithelium	UBERON:0004819	98.11	silver quality
skeletal muscle tissue of biceps brachii	UBERON:0004502	97.85	gold quality
quadriceps femoris	UBERON:0001377	97.73	gold quality
deltoid	UBERON:0001476	97.73	gold quality
body of tongue	UBERON:0011876	97.62	gold quality
parotid gland	UBERON:0001831	97.34	gold quality
skeletal muscle tissue of rectus abdominis	UBERON:0004511	97.06	gold quality
skeletal muscle tissue	UBERON:0001134	96.88	gold quality
vena cava	UBERON:0004087	96.60	gold quality
muscle tissue	UBERON:0002385	96.39	gold quality
ileal mucosa	UBERON:0000331	95.89	gold quality
lateral nuclear group of thalamus	UBERON:0002736	95.76	silver quality
upper arm skin	UBERON:0004263	95.56	gold quality
tongue	UBERON:0001723	94.85	gold quality
muscle of leg	UBERON:0001383	94.69	gold quality
gastrocnemius	UBERON:0001388	94.68	gold quality
hindlimb stylopod muscle	UBERON:0004252	94.28	gold quality
substantia nigra pars compacta	UBERON:0001965	94.15	silver quality
substantia nigra pars reticulata	UBERON:0001966	93.77	silver quality
apex of heart	UBERON:0002098	93.77	gold quality
corpus epididymis	UBERON:0004359	93.40	gold quality
cardiac ventricle	UBERON:0002082	93.17	gold quality
ventral tegmental area	UBERON:0002691	93.13	gold quality

Single-cell (SCXA)

Detected in 1 experiment(s), a significant marker in 1.

Experiment	Marker?	Max mean expression
E-ANND-3	yes	11.54

Regulation

Is transcription factor: no

miRNA regulators (miRDB)

49 targeting NDUFV3, 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-3613-3P	100.00	76.36	7965
HSA-MIR-371B-5P	99.99	75.34	4759
HSA-MIR-373-5P	99.98	75.36	4753
HSA-MIR-616-5P	99.98	75.58	4775
HSA-MIR-3658	99.96	73.87	4379
HSA-MIR-6835-3P	99.93	70.49	2904
HSA-MIR-6499-3P	99.90	66.38	1212
HSA-MIR-7162-3P	99.89	68.16	1682
HSA-MIR-6780A-5P	99.88	66.69	2776
HSA-MIR-4728-5P	99.85	69.39	4718
HSA-MIR-548AZ-5P	99.83	69.94	3230
HSA-MIR-548T-5P	99.83	69.91	3220
HSA-MIR-6785-5P	99.82	68.68	4428
HSA-MIR-8076	99.78	68.52	1170
HSA-MIR-548AG	99.77	69.25	1492
HSA-MIR-1273H-5P	99.77	66.32	2471
HSA-MIR-149-3P	99.72	68.22	3963
HSA-MIR-548M	99.70	68.87	1749
HSA-MIR-30B-3P	99.70	65.76	2325
HSA-MIR-3689A-3P	99.70	65.73	2306
HSA-MIR-3689B-3P	99.70	65.71	2311
HSA-MIR-3689C	99.70	65.71	2311
HSA-MIR-6779-5P	99.70	65.76	2363
HSA-MIR-548AI	99.69	69.24	1494
HSA-MIR-548BA	99.69	69.14	1514
HSA-MIR-570-5P	99.69	69.24	1494
HSA-MIR-6883-5P	99.69	68.05	3785
HSA-MIR-4663	99.62	65.33	957
HSA-MIR-1290	99.59	69.90	2079
HSA-MIR-7106-5P	99.53	67.47	3574

Literature-anchored findings (GeneRIF, showing 2)

• The results provide new information on the function of the region affected by the MELAS mutations 3946 and 3949 that is not obtainable from patient samples or current eukaryote models. (PMID:16849371)
• NDUFV3 represents the first known complex I subunit present in two functional isoforms. (PMID:27987311)

Cross-species orthologs

4 orthologs

Organism	Symbol	Gene ID
danio_rerio	ndufv3	ENSDARG00000090389
mus_musculus	Ndufv3	ENSMUSG00000024038
rattus_norvegicus	Ndufv3	ENSRNOG00000001182
rattus_norvegicus	Ndufv3-ps1	ENSRNOG00000027593

Protein

Protein identifiers

NADH dehydrogenase [ubiquinone] flavoprotein 3, mitochondrial — P56181 (reviewed: P56181)

Alternative names: Complex I-9kD, NADH-ubiquinone oxidoreductase 9 kDa subunit, Renal carcinoma antigen NY-REN-4

All UniProt accessions (1): P56181

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. May be the terminally assembled subunit of Complex I.

Subunit / interactions. Complex I is composed of 45 different subunits. This is a component of the flavoprotein-sulfur (FP) fragment of the enzyme.

Subcellular location. Mitochondrion inner membrane.

Similarity. Belongs to the complex I NDUFV3 subunit family.

Isoforms (2)

UniProt ID	Names	Canonical?
P56181-1	1	yes
P56181-2	2

RefSeq proteins (2): NP_001001503, NP_066553* (*=MANE)

Domains & families (InterPro)

ID	Name	Type
IPR026193	NDUFV3	Family

Pfam: PF15880

UniProt features (12 total): modified residue 4, sequence conflict 2, helix 2, transit peptide 1, chain 1, region of interest 1, splice variant 1

Structure

Experimental structures (PDB)

9 structures.

PDB	Method	Resolution (Å)
9W2U	ELECTRON MICROSCOPY	2.6
9I4I	ELECTRON MICROSCOPY	2.63
9TI4	ELECTRON MICROSCOPY	2.66
9W2V	ELECTRON MICROSCOPY	2.8
5XTB	ELECTRON MICROSCOPY	3.4
9CWT	ELECTRON MICROSCOPY	3.44
5XTD	ELECTRON MICROSCOPY	3.7
5XTH	ELECTRON MICROSCOPY	3.9
5XTI	ELECTRON MICROSCOPY	17.4

Predicted structure (AlphaFold)

Model	pLDDT	Fraction very-high
AF-P56181-F1	72.92	0.40

Functional residue map

Curated UniProt residues grouped by drug-discovery relevance — catalytic, ligand-binding, modification, and mutation-validated positions. Source: UniProtKB sequence features.

Post-translational modifications (4): 164, 105, 160, 162

Function

Pathways and Gene Ontology

Reactome pathways

6 pathways

ID	Pathway
R-HSA-611105	Respiratory electron transport
R-HSA-6799198	Complex I biogenesis
R-HSA-9837999	Mitochondrial protein degradation
R-HSA-1428517	Aerobic respiration and respiratory electron transport
R-HSA-1430728	Metabolism
R-HSA-392499	Metabolism of proteins

MSigDB gene sets: 171 (showing top): RODRIGUES_THYROID_CARCINOMA_POORLY_DIFFERENTIATED_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, WEI_MYCN_TARGETS_WITH_E_BOX, GOBP_ATP_BIOSYNTHETIC_PROCESS, GOBP_OXIDATIVE_PHOSPHORYLATION, GOBP_CARBOHYDRATE_DERIVATIVE_BIOSYNTHETIC_PROCESS, GOBP_NUCLEOSIDE_TRIPHOSPHATE_METABOLIC_PROCESS, GOBP_NUCLEOSIDE_TRIPHOSPHATE_BIOSYNTHETIC_PROCESS, GOBP_ELECTRON_TRANSPORT_CHAIN

GO Biological Process (5): mitochondrial electron transport, NADH to ubiquinone (GO:0006120), aerobic respiration (GO:0009060), mitochondrial ATP synthesis coupled electron transport (GO:0042775), proton motive force-driven mitochondrial ATP synthesis (GO:0042776), proton transmembrane transport (GO:1902600)

GO Molecular Function (3): RNA binding (GO:0003723), NADH dehydrogenase (ubiquinone) activity (GO:0008137), protein binding (GO:0005515)

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-4 pathways:

Category	Pathways
Aerobic respiration and respiratory electron transport	1
Respiratory electron transport	1
Metabolism of proteins	1
Metabolism	1

GO top-level categories

Rollup of top GO terms by namespace:

Category	Terms
mitochondrion	2
aerobic electron transport chain	1
mitochondrial ATP synthesis coupled electron transport	1
cellular respiration	1
ATP synthesis coupled electron transport	1
oxidative phosphorylation	1
proton motive force-driven ATP synthesis	1
monoatomic cation transmembrane transport	1
nucleic acid binding	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
binding	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

1342 interactions, top by confidence (×1000):

Protein A	Protein B	Partner UniProt	Score
NDUFV3	NDUFV1	P49821	984
NDUFV3	NDUFV2	P19404	974
NDUFV3	NDUFS6	O75380	931
NDUFV3	NDUFS1	P28331	931
NDUFV3	NDUFS4	O43181	864
NDUFV3	NDUFA12	Q9UI09	852
NDUFV3	NDUFA6	P56556	852
NDUFV3	NDUFC1	O43677	846
NDUFV3	NDUFA2	O43678	833
NDUFV3	NDUFA5	Q16718	823
NDUFV3	NDUFB5	O43674	820
NDUFV3	NDUFB3	O43676	810
NDUFV3	NDUFA7	O95182	809
NDUFV3	PDE9A	O76083	792
NDUFV3	WDR4	P57081	702

IntAct

64 interactions, top by confidence:

A	B	Type	Score
NDUFS3	NDUFS8	psi-mi:“MI:0914”(association)	0.730
NDUFV2	NDUFS2	psi-mi:“MI:0914”(association)	0.730
NDUFV1	NDUFV3	psi-mi:“MI:0915”(physical association)	0.670
NDUFS6	NDUFS8	psi-mi:“MI:0914”(association)	0.640
NDUFS7	NDUFS8	psi-mi:“MI:0914”(association)	0.640
NDUFA13	NDUFS8	psi-mi:“MI:0914”(association)	0.640
NDUFS5	NDUFS8	psi-mi:“MI:0914”(association)	0.530
NDUFA9	NDUFS8	psi-mi:“MI:0914”(association)	0.530
TIMMDC1	NDUFS8	psi-mi:“MI:0914”(association)	0.530
NDUFS5	NDUFS4	psi-mi:“MI:0914”(association)	0.530
PRRT2	NDUFS4	psi-mi:“MI:0914”(association)	0.530
SSMEM1	NDUFA7	psi-mi:“MI:0914”(association)	0.530
SERINC1	LGALS3	psi-mi:“MI:0914”(association)	0.530
DNAJC30	NDUFS8	psi-mi:“MI:0914”(association)	0.530
LPAR1	TMEM223	psi-mi:“MI:0914”(association)	0.530
NDUFC2	NDUFS4	psi-mi:“MI:0914”(association)	0.530
NDUFV2	NDUFS8	psi-mi:“MI:0914”(association)	0.530
HTRA2	HAX1	psi-mi:“MI:2364”(proximity)	0.420
SETDB2	NDUFV3	psi-mi:“MI:0915”(physical association)	0.400
PRUNE2	NDUFV3	psi-mi:“MI:0915”(physical association)	0.400
NDUFA2	NDUFS8	psi-mi:“MI:0915”(physical association)	0.400
NDUFA12	NDUFS8	psi-mi:“MI:0914”(association)	0.350
NDUFS4	NDUFS8	psi-mi:“MI:0914”(association)	0.350
NDUFA11	NDUFS8	psi-mi:“MI:0914”(association)	0.350

BioGRID (255): NDUFV3 (Affinity Capture-RNA), NDUFV3 (Affinity Capture-RNA), NDUFV3 (Affinity Capture-RNA), NDUFV3 (Affinity Capture-MS), NDUFV3 (Affinity Capture-MS), NDUFV3 (Affinity Capture-MS), NDUFV3 (Affinity Capture-MS), NDUFV3 (Affinity Capture-MS), NDUFV3 (Affinity Capture-MS), NDUFV3 (Affinity Capture-MS), NDUFV3 (Affinity Capture-MS), NDUFV3 (Affinity Capture-MS), NDUFV3 (Affinity Capture-MS), NDUFV3 (Affinity Capture-MS), NDUFV3 (Affinity Capture-MS)

ESM2 similar proteins: A1A4P4, M0R3K6, O09111, P0C2B7, P0C2B8, P0C2B9, P56181, P82649, P82927, P83565, Q08DT6, Q0MQJ0, Q0MQJ1, Q0MQJ2, Q0MQJ3, Q0MQJ4, Q0MQJ5, Q1ECT8, Q290P4, Q3SZ86, Q4G0I0, Q4V7Q1, Q5R4S3, Q5RFR4, Q5TC12, Q5XIC2, Q5XJW2, Q6DQX6, Q7Z7F7, Q80ZS3, Q811I0, Q86TS9, Q8HXG5, Q8K2Y7, Q8SPE7, Q8TAE8, Q9BYN8, Q9C086, Q9CPV3, Q9CR59

Diamond homologs: P25712, P56181, Q0MQJ0, Q0MQJ1, Q0MQJ2, Q6PCU8, Q8BK30

SIGNOR signaling

3 interactions.

A	Effect	B	Mechanism
NDUFV3	“form complex”	“NADH-ubiquinone oxidoreductase-Mitochondrial respiratory chain complex I”	binding
CDK1	“up-regulates activity”	NDUFV3	phosphorylation
CyclinB/CDK1	“up-regulates activity”	NDUFV3	phosphorylation

Enriched among interaction partners

Reactome pathways and GO biological processes over-represented among this gene’s 65 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	21	77.2×	3e-34
Respiratory electron transport	20	42.3×	6e-27
Aerobic respiration and respiratory electron transport	20	39.4×	2e-26
Mitochondrial protein degradation	7	17.8×	2e-06

GO biological processes:

GO term	Partners	Fold	FDR
mitochondrial electron transport, NADH to ubiquinone	17	99.9×	8e-29
proton motive force-driven mitochondrial ATP synthesis	19	82.0×	5e-30
aerobic respiration	19	77.2×	9e-30
mitochondrial respiratory chain complex I assembly	11	74.1×	1e-16

Disease & clinical

Clinical variants and AI predictions

ClinVar

110 variants total. Per-class counts are floors (≥ shown; pagination cap):

Classification	Count (floor)
Pathogenic	1
Likely pathogenic	0
Uncertain significance	80
Likely benign	20
Benign	3

Top pathogenic / likely-pathogenic (1)

Variant ID	HGVS	Classification
3248208	NC_000021.8:g.(?44293641)(44317177_?)del	Pathogenic

SpliceAI

937 predictions. Top by Δscore:

Variant	Effect	Δscore
21:42897048:G:GG	donor_gain	1.0000
21:42893362:G:GT	donor_gain	0.9900
21:42893381:GGTA:G	donor_loss	0.9900
21:42893388:G:GT	donor_gain	0.9900
21:42896995:G:T	donor_gain	0.9900
21:42904275:GG:G	donor_gain	0.9900
21:42904276:GG:G	donor_gain	0.9900
21:42908979:G:GT	donor_gain	0.9900
21:42909032:TGTG:T	donor_gain	0.9900
21:42896926:GACT:G	acceptor_gain	0.9800
21:42897063:T:TA	donor_gain	0.9800
21:42897064:A:AA	donor_gain	0.9800
21:42902599:AC:A	donor_gain	0.9800
21:42903295:A:T	donor_gain	0.9800
21:42909003:G:GT	donor_gain	0.9800
21:42909069:G:GT	donor_gain	0.9800
21:42903294:G:GT	donor_gain	0.9700
21:42904234:G:GT	donor_gain	0.9600
21:42893358:C:T	donor_gain	0.9500
21:42896923:TCAGA:T	acceptor_gain	0.9500
21:42896924:CAGA:C	acceptor_gain	0.9500
21:42896925:A:AG	acceptor_gain	0.9500
21:42896926:G:GG	acceptor_gain	0.9500
21:42908934:C:T	donor_gain	0.9500
21:42906930:C:G	donor_gain	0.9400
21:42908933:GCAC:G	donor_gain	0.9400
21:42909033:GTGA:G	donor_gain	0.9400
21:42893382:G:GG	donor_gain	0.9300
21:42896925:AGAC:A	acceptor_gain	0.9300
21:42896926:GA:G	acceptor_gain	0.9300

AlphaMissense

3039 scored. Top likely-pathogenic:

Variant	Protein change	am_pathogenicity
21:42908944:T:C	F84L	0.995
21:42908946:C:A	F84L	0.995
21:42908946:C:G	F84L	0.995
21:42908979:G:C	R95S	0.990
21:42908979:G:T	R95S	0.990
21:42908913:C:A	N73K	0.989
21:42908913:C:G	N73K	0.989
21:42908978:G:T	R95M	0.988
21:42908978:G:C	R95T	0.986
21:42908920:C:G	H76D	0.985
21:42908945:T:G	F84C	0.982
21:42908945:T:C	F84S	0.981
21:42908977:A:G	R95G	0.979
21:42908922:T:A	H76Q	0.978
21:42908922:T:G	H76Q	0.978
21:42908905:T:C	Y71H	0.975
21:42908966:T:C	L91P	0.975
21:42908988:G:C	Q98H	0.974
21:42908988:G:T	Q98H	0.974
21:42908923:C:G	H77D	0.973
21:42908989:C:T	P99S	0.971
21:42908911:A:G	N73D	0.970
21:42908905:T:G	Y71D	0.969
21:42908954:T:C	L87P	0.969
21:42908990:C:A	P99H	0.969
21:42908929:T:C	Y79H	0.965
21:42908951:A:T	D86V	0.964
21:42908921:A:C	H76P	0.963
21:42908942:C:T	T83I	0.962
21:42908924:A:C	H77P	0.961

dbSNP variants (sampled 300 via entrez): RS1000083528 (21:42908532 A>G), RS1000095855 (21:42904778 A>C), RS1000242280 (21:42908666 A>G), RS1000320396 (21:42913561 G>A), RS1000435693 (21:42897963 A>G,T), RS1000516601 (21:42893039 C>G,T), RS1000591203 (21:42907154 A>C,G,T), RS1000716642 (21:42901980 G>A), RS1000880423 (21:42902766 T>C), RS1001080139 (21:42907223 TATTAGA>T), RS1001092309 (21:42912306 C>T), RS1001378140 (21:42912715 A>G,T), RS1001398897 (21:42903670 G>A,C), RS1001407133 (21:42903903 A>C), RS1001441686 (21:42912497 G>A,T)

Disease associations

OMIM: gene MIM:602184 | 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

35 total (human), top 30 by PubMed support.

Chemical	Actions (top 5)	PubMed papers
Acetaminophen	affects cotreatment, increases expression	4
Arsenic	decreases expression, increases abundance, increases expression	2
Rotenone	increases expression	2
GSK-J4	decreases expression	1
FR900359	affects phosphorylation	1
deoxynivalenol	decreases expression	1
beta-lapachone	decreases expression	1
sodium arsenite	increases abundance, increases expression	1
aflatoxin B2	decreases methylation	1
coumarin	increases phosphorylation	1
di-n-butylphosphoric acid	affects expression	1
azoxystrobin	increases expression	1
deguelin	increases expression	1
corosolic acid	decreases expression	1
2-palmitoylglycerol	increases expression	1
pyrimidifen	increases expression	1
pyrachlostrobin	increases expression	1
bisphenol S	affects cotreatment, increases methylation	1
jinfukang	affects cotreatment, increases expression	1
Sunitinib	decreases expression	1
Fulvestrant	affects cotreatment, increases methylation	1
Cannabidiol	increases expression	1
Cisplatin	affects cotreatment, increases expression	1
Dimethyl Sulfoxide	increases expression	1
Fluorouracil	increases expression	1
Lead	decreases expression	1
Lipopolysaccharides	affects cotreatment, increases expression	1
Methyl Methanesulfonate	increases expression	1
Niclosamide	increases expression	1
Thiram	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

Clinical trials (associated diseases)

0 trials via MONDO — disease-level, not drug-specific.