NDUFA5

Summary

NDUFA5 (NADH:ubiquinone oxidoreductase subunit A5, HGNC:7688) is a protein-coding gene on chromosome 7q31.32, encoding NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 5 (Q16718). 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: 21.3% of cell lines).

This nuclear gene encodes a conserved protein that comprises the B13 subunit of complex I of the mitochondrial respiratory chain. The encoded protein localizes to the inner mitochondrial membrane, where it is thought to aid in the transfer of electrons from NADH to ubiquinone. Alternative splicing results in multiple transcript variants. There are numerous pseudogenes of this gene on chromosomes 1, 3, 6, 8, 9, 11, 12, and 16.

Source: NCBI Gene 4698 — RefSeq curated summary.

At a glance

• Clinical variants (ClinVar): 11 total
• Druggable target: yes
• Cancer dependency (DepMap): dependent in 21.3% of screened cell lines
• MANE Select transcript: NM_005000

Identifiers

Gene identifiers

Field	Value
HGNC ID	HGNC:7688
Approved symbol	NDUFA5
Name	NADH:ubiquinone oxidoreductase subunit A5
Location	7q31.32
Locus type	gene with protein product
Status	Approved
Aliases	B13, NUFM, CI-13KD-B, UQOR13, CI-13kB
Ensembl gene	ENSG00000128609
Ensembl biotype	protein_coding
OMIM	601677
Entrez	4698

Gene structure

Transcript identifiers

Ensembl transcripts: 30 — 19 protein_coding, 6 retained_intron, 3 protein_coding_CDS_not_defined, 2 nonsense_mediated_decay

ENST00000355749, ENST00000378795, ENST00000459880, ENST00000466896, ENST00000467117, ENST00000470123, ENST00000471770, ENST00000490618, ENST00000491033, ENST00000492549, ENST00000611607, ENST00000618945, ENST00000676516, ENST00000676614, ENST00000676730, ENST00000677134, ENST00000677251, ENST00000677264, ENST00000677306, ENST00000677391, ENST00000678032, ENST00000678090, ENST00000678251, ENST00000679052, ENST00000679163, ENST00000897003, ENST00000897004, ENST00000944401, ENST00000944402, ENST00000944403

RefSeq mRNA: 6 — MANE Select: NM_005000 NM_001282419, NM_001282420, NM_001282421, NM_001282422, NM_001291304, NM_005000

CCDS: CCDS5788, CCDS64760, CCDS75655, CCDS75656

Canonical transcript exons

ENST00000355749 — 5 exons

Exon	Start	End
ENSE00001824528	123536997	123542220
ENSE00001907337	123557775	123557818
ENSE00003622622	123557404	123557448
ENSE00003693561	123550470	123550586
ENSE00003789484	123545611	123545676

Expression profiles

Bgee: expression breadth ubiquitous, 295 present calls, max score 99.14.

FANTOM5 (CAGE): breadth ubiquitous, TPM avg 51.2466 / max 2626.7114, expressed in 1814 samples.

FANTOM5 promoters (4 alternative TSS)

Promoter ID	TPM avg	Samples expressed
85964	50.3760	1814
85965	0.8370	250
85968	0.0202	11
85969	0.0135	5

Top tissues by expression

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

Tissue	Anatomy ID	Expression score	Quality
endothelial cell	CL:0000115	99.14	gold quality
skeletal muscle tissue of rectus abdominis	UBERON:0004511	99.13	gold quality
heart right ventricle	UBERON:0002080	98.90	gold quality
biceps brachii	UBERON:0001507	98.88	gold quality
skeletal muscle tissue of biceps brachii	UBERON:0004502	98.82	gold quality
calcaneal tendon	UBERON:0003701	98.76	gold quality
adrenal tissue	UBERON:0018303	98.73	gold quality
dorsolateral prefrontal cortex	UBERON:0009834	98.66	gold quality
germinal epithelium of ovary	UBERON:0001304	98.61	gold quality
right atrium auricular region	UBERON:0006631	98.57	gold quality
cortical plate	UBERON:0005343	98.56	gold quality
Brodmann (1909) area 9	UBERON:0013540	98.56	gold quality
nucleus accumbens	UBERON:0001882	98.50	gold quality
cardiac atrium	UBERON:0002081	98.50	gold quality
heart left ventricle	UBERON:0002084	98.48	gold quality
cardiac ventricle	UBERON:0002082	98.46	gold quality
gastrocnemius	UBERON:0001388	98.42	gold quality
hindlimb stylopod muscle	UBERON:0004252	98.42	gold quality
muscle of leg	UBERON:0001383	98.41	gold quality
caudate nucleus	UBERON:0001873	98.41	gold quality
amygdala	UBERON:0001876	98.41	gold quality
prefrontal cortex	UBERON:0000451	98.34	gold quality
myocardium	UBERON:0002349	98.28	gold quality
right frontal lobe	UBERON:0002810	98.24	gold quality
muscle organ	UBERON:0001630	98.20	gold quality
colonic epithelium	UBERON:0000397	98.18	gold quality
vastus lateralis	UBERON:0001379	98.16	gold quality
superior frontal gyrus	UBERON:0002661	98.15	gold quality
substantia nigra pars compacta	UBERON:0001965	98.13	gold quality
anterior cingulate cortex	UBERON:0009835	98.13	gold quality

Single-cell (SCXA)

Detected in 5 experiment(s), a significant marker in 2.

Experiment	Marker?	Max mean expression
E-HCAD-10	yes	30.77
E-MTAB-7249	no	13579.48
E-GEOD-100618	no	1216.10
E-HCAD-5	no	838.87
E-ANND-3	no	0.00

Regulation

Is transcription factor: no

miRNA regulators (miRDB)

162 targeting NDUFA5, 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-8485	100.00	77.57	4731
HSA-MIR-656-3P	100.00	72.15	2788
HSA-MIR-1252-5P	100.00	69.80	2774
HSA-MIR-3613-3P	100.00	76.36	7965
HSA-MIR-5692A	100.00	74.40	6850
HSA-MIR-3646	100.00	73.56	5283
HSA-MIR-4510	100.00	66.60	2050
HSA-MIR-6127	100.00	66.76	2188
HSA-MIR-6129	100.00	66.46	2080
HSA-MIR-6130	100.00	66.69	2012
HSA-MIR-6133	100.00	66.48	2064
HSA-MIR-126-5P	100.00	72.71	3180
HSA-MIR-5692B	100.00	71.32	2622
HSA-MIR-5692C	100.00	71.32	2622
HSA-MIR-1277-5P	100.00	73.95	5056
HSA-MIR-190A-3P	100.00	80.35	5520
HSA-MIR-4262	100.00	73.26	3931
HSA-MIR-3163	100.00	77.23	8605
HSA-MIR-3662	99.99	73.82	5684
HSA-MIR-196A-1-3P	99.99	72.15	2772
HSA-MIR-511-3P	99.99	68.85	1467
HSA-MIR-4282	99.99	75.36	6408
HSA-MIR-499A-5P	99.98	70.79	1323
HSA-MIR-5696	99.98	72.36	4487
HSA-MIR-4775	99.98	75.00	6394
HSA-MIR-433-3P	99.98	69.37	1203
HSA-MIR-607	99.97	73.62	5593
HSA-MIR-3065-5P	99.97	71.56	3281
HSA-MIR-590-3P	99.96	74.34	6478
HSA-MIR-551B-5P	99.96	71.28	3493

Functional genomics

DepMap (CRISPR cell-line fitness): dependent in 21.3% of screened cell lines.

Literature-anchored findings (GeneRIF, showing 2)

• SNPs rs12666974 and rs3779262 significantly associated with autism (PMID:20825370)
• NDUFA3, NDUFA5 and NDUFA12 supernumerary subunits are necessary for complex I activity and biogenesis. (PMID:24717771)

Cross-species orthologs

5 orthologs

Organism	Symbol	Gene ID
danio_rerio	ndufa5	ENSDARG00000039346
mus_musculus	Ndufa5	ENSMUSG00000023089
rattus_norvegicus	Ndufa5	ENSRNOG00000090026
drosophila_melanogaster	ND-13B	FBGN0047038
caenorhabditis_elegans		WBGENE00007880

Protein

Protein identifiers

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 5 — Q16718 (reviewed: Q16718)

Alternative names: Complex I subunit B13, Complex I-13kD-B, NADH-ubiquinone oxidoreductase 13 kDa-B subunit

All UniProt accessions (9): Q16718, A0A024R772, A0A087WXR5, A0A087X1G1, A0A7I2V2W4, A0A7I2V3L8, C9IZN5, F8WAS3, H7BYD0

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.

Tissue specificity. Expressed in all tissues examined with highest levels in heart, skeletal muscle and brain.

Similarity. Belongs to the complex I NDUFA5 subunit family.

Isoforms (2)

UniProt ID	Names	Canonical?
Q16718-1	1	yes
Q16718-2	2

RefSeq proteins (6): NP_001269348, NP_001269349, NP_001269350, NP_001269351, NP_001278233, NP_004991* (*=MANE)

Domains & families (InterPro)

ID	Name	Type
IPR006806	NDUFA5	Family

Pfam: PF04716

UniProt features (18 total): modified residue 6, helix 5, turn 2, initiator methionine 1, chain 1, strand 1, splice variant 1, sequence conflict 1

Structure

Experimental structures (PDB)

7 structures.

PDB	Method	Resolution (Å)
9I4I	ELECTRON MICROSCOPY	2.63
9TI4	ELECTRON MICROSCOPY	2.66
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-Q16718-F1	88.98	0.55

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 (6): 2, 30, 46, 60, 98, 98

Function

Pathways and Gene Ontology

Reactome pathways

9 pathways

ID	Pathway
R-HSA-611105	Respiratory electron transport
R-HSA-6799198	Complex I biogenesis
R-HSA-9013408	RHOG GTPase cycle
R-HSA-1428517	Aerobic respiration and respiratory electron transport
R-HSA-1430728	Metabolism
R-HSA-162582	Signal Transduction
R-HSA-194315	Signaling by Rho GTPases
R-HSA-9012999	RHO GTPase cycle
R-HSA-9716542	Signaling by Rho GTPases, Miro GTPases and RHOBTB3

MSigDB gene sets: 220 (showing top): GSE18804_BRAIN_VS_COLON_TUMORAL_MACROPHAGE_UP, MODULE_77, MORF_RAD21, GOBP_ORGANOPHOSPHATE_METABOLIC_PROCESS, TGACCTY_ERR1_Q2, 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, MARTINEZ_RB1_TARGETS_UP, MORF_SKP1A, GOBP_ATP_BIOSYNTHETIC_PROCESS, GOBP_OXIDATIVE_PHOSPHORYLATION

GO Biological Process (5): mitochondrial electron transport, NADH to ubiquinone (GO:0006120), aerobic respiration (GO:0009060), respiratory electron transport chain (GO:0022904), proton motive force-driven mitochondrial ATP synthesis (GO:0042776), proton transmembrane transport (GO:1902600)

GO Molecular Function (2): NADH dehydrogenase (ubiquinone) activity (GO:0008137), protein binding (GO:0005515)

GO Cellular Component (5): mitochondrion (GO:0005739), mitochondrial inner membrane (GO:0005743), respiratory chain complex I (GO:0045271), membrane (GO:0016020), protein-containing complex (GO:0032991)

Reactome top-level categories

Rollup of top-7 pathways:

Category	Pathways
Aerobic respiration and respiratory electron transport	1
Respiratory electron transport	1
RHO GTPase cycle	1
Metabolism	1
Signaling by Rho GTPases, Miro GTPases and RHOBTB3	1
Signaling by Rho GTPases	1
Signal Transduction	1

GO top-level categories

Rollup of top GO terms by namespace:

Category	Terms
cellular respiration	2
aerobic electron transport chain	1
mitochondrial ATP synthesis coupled electron transport	1
electron transport chain	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
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
cellular_component	1

Protein interactions and networks

STRING

3508 interactions, top by confidence (×1000):

Protein A	Protein B	Partner UniProt	Score
NDUFA5	NDUFS2	O75306	971
NDUFA5	NDUFS3	O75489	967
NDUFA5	NDUFA10	O95299	954
NDUFA5	NDUFS1	P28331	946
NDUFA5	NDUFS6	O75380	945
NDUFA5	NDUFB3	O43676	924
NDUFA5	NDUFA2	O43678	921
NDUFA5	NDUFB5	O43674	915
NDUFA5	NDUFA6	P56556	912
NDUFA5	NDUFC1	O43677	900
NDUFA5	NDUFS8	O00217	882
NDUFA5	NDUFS5	O43920	880
NDUFA5	NDUFV2	P19404	860
NDUFA5	NDUFV1	P49821	854
NDUFA5	NDUFA7	O95182	832

IntAct

154 interactions, top by confidence:

A	B	Type	Score
NDUFS3	NDUFA5	psi-mi:“MI:0915”(physical association)	0.840
NDUFS3	NDUFS8	psi-mi:“MI:0914”(association)	0.730
NDUFS7	NDUFS8	psi-mi:“MI:0914”(association)	0.640
NDUFAF4	NDUFS8	psi-mi:“MI:0914”(association)	0.640
NDUFS6	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
NDUFA5	PLEKHF2	psi-mi:“MI:0915”(physical association)	0.560
TTR	NDUFA5	psi-mi:“MI:0915”(physical association)	0.560
NDUFA5	YWHAG	psi-mi:“MI:0915”(physical association)	0.560
NDUFA5	SETDB1	psi-mi:“MI:0915”(physical association)	0.560
NDUFA5	KAT5	psi-mi:“MI:0915”(physical association)	0.560
LMO3	NDUFA5	psi-mi:“MI:0915”(physical association)	0.560

BioGRID (285): NDUFA5 (Affinity Capture-MS), NDUFA5 (Affinity Capture-MS), DAZAP2 (Two-hybrid), NDUFB1 (Two-hybrid), CCDC85B (Two-hybrid), NDUFA5 (Proximity Label-MS), NDUFA5 (Proximity Label-MS), NDUFA5 (Proximity Label-MS), NDUFA5 (Proximity Label-MS), NDUFA5 (Proximity Label-MS), NDUFA5 (Affinity Capture-MS), NDUFA5 (Affinity Capture-MS), NDUFA5 (Affinity Capture-MS), NDUFA5 (Affinity Capture-MS), NDUFA5 (Affinity Capture-MS)

ESM2 similar proteins: A0JPA6, A1C9A5, A5PLG0, B4F7A1, B5DFN3, P0CB99, P0CC00, P23935, P56556, P82933, Q02366, Q0MQA1, Q0MQA2, Q0MQA3, Q0MQA4, Q0MQA5, Q0P574, Q16718, Q2M2S9, Q3SZ13, Q3T040, Q4IN52, Q4QQY2, Q4R5J1, Q4SQJ2, Q4WHK3, Q58DV5, Q5AX36, Q5BBH7, Q5I0K8, Q5REC3, Q5SPH9, Q5U5X0, Q5ZMU0, Q63362, Q6DCS1, Q6DDY9, Q6PBU7, Q6TUF2, Q8BQU3

Diamond homologs: P0CB99, P0CC00, P23935, Q0MQA1, Q0MQA2, Q16718, Q18359, Q4R5J1, Q559Z4, Q5A995, Q63362, Q9CPP6, Q9FLX7, P24919, P80266

SIGNOR signaling

1 interactions.

A	Effect	B	Mechanism
NDUFA5	“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 137 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	27	46.5×	6e-37
Respiratory electron transport	29	28.8×	4e-33
Aerobic respiration and respiratory electron transport	27	24.9×	6e-29
Complex IV assembly	5	11.9×	4e-03
Mitochondrial protein degradation	8	9.5×	2e-04

GO biological processes:

GO term	Partners	Fold	FDR
mitochondrial electron transport, NADH to ubiquinone	21	62.8×	6e-31
proton motive force-driven mitochondrial ATP synthesis	23	50.5×	5e-31
aerobic respiration	23	47.5×	8e-31
mitochondrial respiratory chain complex I assembly	12	41.1×	1e-14

Disease & clinical

Clinical variants and AI predictions

ClinVar

11 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

556 predictions. Top by Δscore:

Variant	Effect	Δscore
7:123550465:CTT:C	donor_loss	1.0000
7:123550466:TTA:T	donor_loss	1.0000
7:123550467:T:TG	donor_loss	1.0000
7:123550468:A:AC	donor_gain	1.0000
7:123550469:C:CC	donor_gain	1.0000
7:123550469:CCG:C	donor_gain	1.0000
7:123550461:G:C	donor_gain	0.9900
7:123550462:CTACT:C	donor_loss	0.9900
7:123550463:TACTT:T	donor_loss	0.9900
7:123550464:ACTTA:A	donor_loss	0.9900
7:123550468:AC:A	donor_gain	0.9900
7:123550468:ACCG:A	donor_gain	0.9900
7:123550469:CC:C	donor_gain	0.9900
7:123550469:CCGC:C	donor_gain	0.9900
7:123550583:GCCT:G	acceptor_gain	0.9900
7:123550584:CCTC:C	acceptor_gain	0.9900
7:123550585:CT:C	acceptor_gain	0.9900
7:123550587:C:CC	acceptor_gain	0.9900
7:123557399:CATA:C	donor_loss	0.9900
7:123557400:ATAC:A	donor_loss	0.9900
7:123545607:TTA:T	donor_loss	0.9800
7:123545608:TA:T	donor_loss	0.9800
7:123545609:ACC:A	donor_loss	0.9800
7:123545610:CCTG:C	donor_loss	0.9800
7:123550582:AGCCT:A	acceptor_gain	0.9800
7:123550585:CTCTG:C	acceptor_loss	0.9800
7:123550586:TC:T	acceptor_loss	0.9800
7:123550587:CTGA:C	acceptor_loss	0.9800
7:123550588:T:A	acceptor_loss	0.9800
7:123542217:CAGC:C	acceptor_gain	0.9700

AlphaMissense

752 scored. Top likely-pathogenic:

Variant	Protein change	am_pathogenicity
7:123557778:C:A	K6N	0.895
7:123557778:C:G	K6N	0.895
7:123542136:A:G	W112R	0.864
7:123542136:A:T	W112R	0.864
7:123542134:C:A	W112C	0.857
7:123542134:C:G	W112C	0.857
7:123542130:A:G	W114R	0.783
7:123542130:A:T	W114R	0.783
7:123542220:C:G	A84P	0.780
7:123542172:A:G	W100R	0.751
7:123542172:A:T	W100R	0.751
7:123542170:C:A	W100C	0.749
7:123542170:C:G	W100C	0.749
7:123542128:C:A	W114C	0.743
7:123542128:C:G	W114C	0.743
7:123550518:T:A	R45S	0.742
7:123550518:T:G	R45S	0.742
7:123542135:C:G	W112S	0.732
7:123550582:A:G	L24P	0.731
7:123542137:C:A	Q111H	0.728
7:123542137:C:G	Q111H	0.728
7:123550477:A:T	V59D	0.715
7:123542135:C:A	W112L	0.713
7:123557444:G:A	T9I	0.706
7:123542207:A:G	L88P	0.698
7:123557779:T:A	K6M	0.698
7:123545626:T:A	E78D	0.695
7:123545626:T:G	E78D	0.695
7:123557779:T:G	K6T	0.694
7:123550582:A:T	L24Q	0.676

dbSNP variants (sampled 300 via entrez): RS1000037413 (7:123583351 G>A), RS1000061682 (7:123599846 G>T), RS1000073837 (7:123554952 G>A,T), RS1000099657 (7:123536770 A>C), RS1000115003 (7:123599507 TC>T), RS1000181955 (7:123600418 G>C), RS1000205476 (7:123556299 T>A), RS1000253788 (7:123556507 A>G), RS1000255351 (7:123548060 G>A), RS1000428139 (7:123549983 T>A,C), RS1000510518 (7:123554557 T>A,C), RS1000529942 (7:123575363 T>A,C,G), RS1000537241 (7:123554682 T>C), RS1000599415 (7:123549615 A>G), RS1000638025 (7:123599282 A>G)

Disease associations

OMIM: gene MIM:601677 | 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 (2): CHEMBL2363065 (PROTEIN COMPLEX), CHEMBL6067539 (SINGLE PROTEIN)

PharmGKB: 1 entry (VIP=true, CPIC=false)

ChEMBL bioactivities

12 potent at pChembl≥5 of 22 total, top 12 by pChembl (potency: 10 = 0.1 nM, 6 = 1 µM).

pChembl	Type	Value	Unit	Molecule
6.61	Kd	246.4	nM	CHEMBL5653589
6.60	ED50	252.5	nM	CHEMBL5653589
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
5.31	Kd	4923	nM	CHEMBL3752910
5.30	ED50	5046	nM	CHEMBL3752910
5.04	IC50	9100	nM	(+)-9’-ISOVALEROXYLARICIRESINOL

PubChem BioAssay actives

10 with measured affinity, of 32 total; 6 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
4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide	2148841: Binding affinity to human NDUFA5 incubated for 45 mins by Kinobead based pull down assay	kd	0.2464	uM
[(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
4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide	2148841: Binding affinity to human NDUFA5 incubated for 45 mins by Kinobead based pull down assay	kd	4.9225	uM

CTD chemical–gene interactions

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

Chemical	Actions (top 5)	PubMed papers
Acetaminophen	affects cotreatment, decreases expression	3
sodium arsenite	decreases expression	2
perfluorooctane sulfonic acid	decreases expression, increases expression	2
Doxorubicin	affects expression, decreases expression	2
Valproic Acid	affects cotreatment, increases expression	2
Cyclosporine	decreases expression	2
Particulate Matter	decreases expression, increases abundance	2
aristolochic acid I	decreases expression	1
dicrotophos	decreases expression	1
biochanin A	decreases expression	1
triphenyl phosphate	affects expression	1
bisphenol A	increases expression	1
O,O-diethyl O-3,5,6-trichloro-2-pyridyl phosphate	affects expression, affects response to substance	1
perfluorooctanoic acid	increases expression	1
aflatoxin B2	increases methylation	1
CGP 52608	affects binding, increases reaction	1
corosolic acid	decreases expression	1
bisphenol B	increases expression	1
jinfukang	decreases expression	1
bisphenol AF	increases expression	1
Air Pollutants	decreases expression, increases abundance	1
Vehicle Emissions	increases abundance, decreases expression	1
Hydralazine	increases expression, affects cotreatment	1
Isoniazid	decreases expression	1
Ivermectin	decreases expression	1
Lipopolysaccharides	affects cotreatment, decreases expression	1
Nicotine	increases expression	1
Paraquat	decreases expression	1
Piroxicam	decreases expression	1
Thimerosal	increases expression	1

ChEMBL screening assays

5 unique, capped per target: 5 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.