NDUFB6

Summary

NDUFB6 (NADH:ubiquinone oxidoreductase subunit B6, HGNC:7701) is a protein-coding gene on chromosome 9p21.1, encoding NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 6 (O95139). 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: 41.6% 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. It locates at the mitochondrial inner membrane. This protein has NADH dehydrogenase activity and oxidoreductase activity. It transfers electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone. Alternative splicing occurs at this locus and three transcript variants encoding distinct isoforms have been identified.

Source: NCBI Gene 4712 — RefSeq curated summary.

At a glance

• GWAS associations: 1
• Clinical variants (ClinVar): 12 total
• Druggable target: yes
• Cancer dependency (DepMap): dependent in 41.6% of screened cell lines
• MANE Select transcript: NM_002493

Identifiers

Gene identifiers

Field	Value
HGNC ID	HGNC:7701
Approved symbol	NDUFB6
Name	NADH:ubiquinone oxidoreductase subunit B6
Location	9p21.1
Locus type	gene with protein product
Status	Approved
Aliases	B17, CI
Ensembl gene	ENSG00000165264
Ensembl biotype	protein_coding
OMIM	603322
Entrez	4712

Gene structure

Transcript identifiers

Ensembl transcripts: 7 — 7 protein_coding

ENST00000350021, ENST00000366466, ENST00000379847, ENST00000897858, ENST00000933359, ENST00000933360, ENST00000933361

RefSeq mRNA: 3 — MANE Select: NM_002493 NM_001199987, NM_002493, NM_182739

CCDS: CCDS6528, CCDS6529, CCDS75826

Canonical transcript exons

ENST00000379847 — 4 exons

Exon	Start	End
ENSE00001091735	32558910	32558954
ENSE00001091736	32570960	32571052
ENSE00001840320	32553001	32553944
ENSE00001946759	32572881	32573159

Expression profiles

Bgee: expression breadth ubiquitous, 292 present calls, max score 98.92.

FANTOM5 (CAGE): breadth ubiquitous, TPM avg 66.3801 / max 335.9759, expressed in 1821 samples.

FANTOM5 promoters (3 alternative TSS)

Promoter ID	TPM avg	Samples expressed
100395	45.3187	1819
100394	11.6608	1787
100396	9.4006	1761

Top tissues by expression

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

Tissue	Anatomy ID	Expression score	Quality
heart right ventricle	UBERON:0002080	98.92	gold quality
left ventricle myocardium	UBERON:0006566	98.69	gold quality
biceps brachii	UBERON:0001507	98.65	gold quality
adult organism	UBERON:0007023	98.50	gold quality
skeletal muscle tissue of biceps brachii	UBERON:0004502	98.40	gold quality
myocardium	UBERON:0002349	98.34	gold quality
diaphragm	UBERON:0001103	98.24	gold quality
body of tongue	UBERON:0011876	98.16	gold quality
triceps brachii	UBERON:0001509	98.08	gold quality
gingival epithelium	UBERON:0001949	97.88	gold quality
skeletal muscle tissue of rectus abdominis	UBERON:0004511	97.87	gold quality
jejunal mucosa	UBERON:0000399	97.86	gold quality
cardiac ventricle	UBERON:0002082	97.78	gold quality
heart left ventricle	UBERON:0002084	97.76	gold quality
jejunum	UBERON:0002115	97.75	gold quality
pons	UBERON:0000988	97.63	gold quality
pigmented layer of retina	UBERON:0001782	97.61	gold quality
cardiac muscle of right atrium	UBERON:0003379	97.55	gold quality
germinal epithelium of ovary	UBERON:0001304	97.52	gold quality
cardiac atrium	UBERON:0002081	97.47	gold quality
vena cava	UBERON:0004087	97.44	gold quality
right atrium auricular region	UBERON:0006631	97.43	gold quality
gluteal muscle	UBERON:0002000	97.39	gold quality
nephron tubule	UBERON:0001231	97.37	gold quality
lateral nuclear group of thalamus	UBERON:0002736	97.36	gold quality
gingiva	UBERON:0001828	97.29	gold quality
lateral globus pallidus	UBERON:0002476	97.25	gold quality
deltoid	UBERON:0001476	97.15	gold quality
heart	UBERON:0000948	97.14	gold quality
tongue	UBERON:0001723	97.12	gold quality

Single-cell (SCXA)

Detected in 3 experiment(s), a significant marker in 2.

Experiment	Marker?	Max mean expression
E-MTAB-9067	yes	21.31
E-GEOD-100618	no	4575.43
E-ANND-3	no	0.00

Regulation

Is transcription factor: no

Upstream regulators (CollecTRI, top): AR, JUN, MTF2

miRNA regulators (miRDB)

22 targeting NDUFB6, 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-196A-5P	100.00	68.16	684
HSA-MIR-196B-5P	100.00	68.16	681
HSA-MIR-5688	99.96	73.23	4504
HSA-MIR-495-3P	99.96	72.81	4197
HSA-MIR-548AT-5P	99.96	70.83	2666
HSA-MIR-570-3P	99.96	72.41	4910
HSA-MIR-9902	99.89	69.15	2250
HSA-MIR-5003-3P	99.85	69.29	2517
HSA-MIR-3180-5P	99.82	69.12	2422
HSA-MIR-545-5P	99.66	70.18	2308
HSA-MIR-892A	99.54	68.16	1141
HSA-MIR-122B-5P	99.46	70.81	1457
HSA-MIR-5583-3P	99.06	65.68	1018
HSA-MIR-6895-3P	98.79	65.69	996
HSA-MIR-222-5P	98.75	69.17	1242
HSA-MIR-3689A-5P	98.35	70.12	1049
HSA-MIR-3689B-5P	98.35	70.12	1049
HSA-MIR-3689E	98.35	70.12	1049
HSA-MIR-3689F	98.35	70.08	1052
HSA-MIR-3691-3P	97.90	65.97	791
HSA-MIR-1278	97.75	67.55	628
HSA-MIR-4693-5P	97.35	67.02	1234

Functional genomics

DepMap (CRISPR cell-line fitness): dependent in 41.6% of screened cell lines.

Literature-anchored findings (GeneRIF, showing 6)

• Results demonstrate that genetic, epigenetic, and nongenetic factors associate with NDUFB6 expression in human muscle and suggest that genetic and epigenetic factors may interact to increase age-dependent susceptibility to insulin resistance. (PMID:17948130)
• Polymorphism in the NDUFB6 gene from respiratory chain complex I related to ATP synthesis and insulin sensitivity response to exercise training found in relatives of humans with type 2 diabetes. (PMID:19265027)
• NDUFB6 subunit is required for complex I activity. (PMID:21964293)
• we propose that NDUFB6 is a possible tumor suppressor of metastatic ccRCCs. (PMID:25315157)
• NDUFS6 has a Zn-binding site and is essential for biogenesis of mitochondrial complex I (PMID:25902503)
• NDUFB6 Polymorphism Is Associated With Physical Activity-Mediated Metabolic Changes in Type 2 Diabetes. (PMID:34659107)

Cross-species orthologs

3 orthologs

Organism	Symbol	Gene ID
danio_rerio	ndufb6	ENSDARG00000037259
mus_musculus	Ndufb6	ENSMUSG00000071014
rattus_norvegicus	Ndufb6	ENSRNOG00000024539

Protein

Protein identifiers

NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 6 — O95139 (reviewed: O95139)

Alternative names: Complex I-B17, NADH-ubiquinone oxidoreductase B17 subunit

All UniProt accessions (2): A0A087WZX2, O95139

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 NDUFB6 subunit family.

Isoforms (2)

UniProt ID	Names	Canonical?
O95139-1	1	yes
O95139-2	2

RefSeq proteins (3): NP_001186916, NP_002484, NP_877416 (=MANE)

Domains & families (InterPro)

ID	Name	Type
IPR019174	NADH_DH_b-subcmplx_su6	Family

Pfam: PF09782

UniProt features (6 total): modified residue 2, 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-O95139-F1	90.34	0.62

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 (2): 2, 24

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: 183 (showing top): KYNG_DNA_DAMAGE_DN, 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, GOBP_NUCLEOSIDE_TRIPHOSPHATE_BIOSYNTHETIC_PROCESS, GOBP_ELECTRON_TRANSPORT_CHAIN, KEGG_HUNTINGTONS_DISEASE

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

GO Cellular Component (6): nucleoplasm (GO:0005654), mitochondrion (GO:0005739), mitochondrial inner membrane (GO:0005743), mitochondrial membrane (GO:0031966), 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	3
cellular anatomical structure	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
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
nuclear lumen	1
cytoplasm	1
intracellular membrane-bounded organelle	1
organelle inner membrane	1
mitochondrial membrane	1
mitochondrial envelope	1
organelle membrane	1
NADH dehydrogenase complex	1
respiratory chain complex	1
transmembrane transporter complex	1

Protein interactions and networks

STRING

1846 interactions, top by confidence (×1000):

Protein A	Protein B	Partner UniProt	Score
NDUFB6	NDUFA9	Q16795	942
NDUFB6	NDUFA6	P56556	929
NDUFB6	NDUFS3	O75489	899
NDUFB6	NDUFB4	O95168	889
NDUFB6	NDUFB5	O43674	884
NDUFB6	NDUFB1	O75438	874
NDUFB6	NDUFB11	Q9NX14	866
NDUFB6	NDUFV2	P19404	866
NDUFB6	NDUFV1	P49821	856
NDUFB6	NDUFB10	O96000	855
NDUFB6	NDUFA2	O43678	801
NDUFB6	NDUFB8	O95169	796
NDUFB6	NDUFA13	Q9P0J0	791
NDUFB6	MT-ND4L	P03901	788
NDUFB6	NDUFB7	P17568	762

IntAct

73 interactions, top by confidence:

A	B	Type	Score
NDUFS3	NDUFS8	psi-mi:“MI:0914”(association)	0.730
EMC3	EMC8	psi-mi:“MI:0914”(association)	0.730
NDUFS3	NDUFB6	psi-mi:“MI:0914”(association)	0.640
NDUFS6	NDUFS8	psi-mi:“MI:0914”(association)	0.640
NDUFB5	NDUFB3	psi-mi:“MI:0914”(association)	0.640
NDUFA9	NDUFS4	psi-mi:“MI:0914”(association)	0.640
ASPH	STXBP3	psi-mi:“MI:0914”(association)	0.640
NDUFA13	NDUFS8	psi-mi:“MI:0914”(association)	0.640
NDUFAF1	NDUFS5	psi-mi:“MI:0914”(association)	0.640
NDUFB6	ERGIC3	psi-mi:“MI:0915”(physical association)	0.560
NDUFS5	NDUFS8	psi-mi:“MI:0914”(association)	0.530
TIMMDC1	NDUFS8	psi-mi:“MI:0914”(association)	0.530
NDUFA8	NDUFS8	psi-mi:“MI:0914”(association)	0.530
FUT1	GOLIM4	psi-mi:“MI:0914”(association)	0.530
GALNT6	NDUFS4	psi-mi:“MI:0914”(association)	0.530
YIPF3	TMEM120B	psi-mi:“MI:0914”(association)	0.530
NDUFV2	NDUFS8	psi-mi:“MI:0914”(association)	0.530
NDUFS5	NDUFS4	psi-mi:“MI:0914”(association)	0.530
NDUFC2	NDUFS4	psi-mi:“MI:0914”(association)	0.530
NDUFB5	NDUFS7	psi-mi:“MI:0914”(association)	0.530
DNAJC30	NDUFS8	psi-mi:“MI:0914”(association)	0.530
NDUFA9	NDUFS8	psi-mi:“MI:0914”(association)	0.530

BioGRID (95): NDUFB6 (Affinity Capture-MS), NDUFB6 (Affinity Capture-MS), NDUFB6 (Two-hybrid), NDUFB6 (Affinity Capture-MS), NDUFB6 (Affinity Capture-MS), NDUFB6 (Affinity Capture-MS), NDUFB6 (Affinity Capture-MS), NDUFB6 (Affinity Capture-MS), NDUFB6 (Affinity Capture-MS), NDUFB6 (Affinity Capture-MS), NDUFB6 (Affinity Capture-MS), NDUFB6 (Affinity Capture-MS), NDUFB6 (Affinity Capture-MS), NDUFB6 (Affinity Capture-MS), NDUFB6 (Affinity Capture-MS)

ESM2 similar proteins: A1L2P2, A1XQT2, A5PJ82, A8MTT3, D2H617, D4ACP2, E2R5I0, F6USH3, G1QDE8, G1S9B8, O95139, P04038, P09669, P0CB93, P0CB94, P11951, P80977, Q02367, Q0MQ88, Q0MQ89, Q0MQ90, Q0MQE0, Q0MQE1, Q0Q4Z0, Q28EM2, Q28GF4, Q29259, Q3UIU2, Q4I8P5, Q5BKW8, Q5RK28, Q68EV8, Q78RX3, Q7YRJ8, Q7YRJ9, Q7YRK0, Q7YRK1, Q7YRK2, Q7YRK3, Q7YRK7

Diamond homologs: O95139, P0CB93, P0CB94, Q02367, Q0MQE0, Q0MQE1, Q29259, Q3UIU2

SIGNOR signaling

7 interactions.

A	Effect	B	Mechanism
NDUFB6	“form complex”	“NADH-ubiquinone oxidoreductase-Mitochondrial respiratory chain complex I”	binding
CDK1	“up-regulates activity”	NDUFB6	phosphorylation
CyclinB/CDK1	“up-regulates activity”	NDUFB6	phosphorylation

Enriched among interaction partners

Reactome pathways and GO biological processes over-represented among this gene’s 61 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	25	92.0×	1e-43
Respiratory electron transport	23	48.6×	9e-33
Aerobic respiration and respiratory electron transport	23	45.2×	3e-32

GO biological processes:

GO term	Partners	Fold	FDR
mitochondrial electron transport, NADH to ubiquinone	20	125.8×	8e-37
proton motive force-driven mitochondrial ATP synthesis	22	101.6×	9e-38
aerobic respiration	22	95.7×	2e-37
mitochondrial respiratory chain complex I assembly	11	79.3×	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	10
Likely benign	0
Benign	0

Top pathogenic / likely-pathogenic (0)

SpliceAI

707 predictions. Top by Δscore:

Variant	Effect	Δscore
9:32553942:ACCCT:A	acceptor_loss	1.0000
9:32553943:CC:C	acceptor_gain	1.0000
9:32553944:CC:C	acceptor_gain	1.0000
9:32553944:CCTA:C	acceptor_loss	1.0000
9:32553946:T:A	acceptor_loss	1.0000
9:32558908:A:AC	donor_gain	1.0000
9:32558909:C:CC	donor_gain	1.0000
9:32570958:A:AC	donor_gain	1.0000
9:32570959:C:CC	donor_gain	1.0000
9:32572876:CTCA:C	donor_loss	1.0000
9:32572877:TCA:T	donor_loss	1.0000
9:32572878:CACC:C	donor_loss	1.0000
9:32572879:A:AC	donor_gain	1.0000
9:32572879:A:C	donor_loss	1.0000
9:32572880:C:CC	donor_gain	1.0000
9:32572880:C:CG	donor_loss	1.0000
9:32553940:TCACC:T	acceptor_gain	0.9900
9:32553941:CACC:C	acceptor_gain	0.9900
9:32553941:CACCC:C	acceptor_gain	0.9900
9:32553945:C:CC	acceptor_gain	0.9900
9:32558909:CA:C	donor_gain	0.9900
9:32558909:CAG:C	donor_gain	0.9900
9:32570974:T:TA	donor_gain	0.9900
9:32572879:AC:A	donor_gain	0.9900
9:32572880:CC:C	donor_gain	0.9900
9:32553942:ACC:A	acceptor_gain	0.9800
9:32553943:CCC:C	acceptor_gain	0.9800
9:32553945:C:T	acceptor_gain	0.9800
9:32558909:CAGG:C	donor_gain	0.9800
9:32572708:ATT:A	donor_gain	0.9800

AlphaMissense

845 scored. Top likely-pathogenic:

Variant	Protein change	am_pathogenicity
9:32570995:A:G	W80R	0.993
9:32570995:A:T	W80R	0.993
9:32572993:A:G	L23P	0.992
9:32573005:C:G	R19T	0.991
9:32572997:A:G	W22R	0.990
9:32572997:A:T	W22R	0.990
9:32573004:T:A	R19S	0.990
9:32573004:T:G	R19S	0.990
9:32573005:C:A	R19I	0.990
9:32572995:C:A	W22C	0.989
9:32572995:C:G	W22C	0.989
9:32572983:C:A	Q26H	0.986
9:32572983:C:G	Q26H	0.986
9:32573008:A:G	L18P	0.986
9:32572974:G:C	S29R	0.981
9:32572974:G:T	S29R	0.981
9:32572976:T:G	S29R	0.981
9:32572988:C:G	D25H	0.979
9:32571029:A:C	S68R	0.977
9:32571029:A:T	S68R	0.977
9:32571031:T:G	S68R	0.977
9:32572978:A:G	L28P	0.975
9:32572965:C:A	E32D	0.974
9:32572965:C:G	E32D	0.974
9:32572996:C:G	W22S	0.974
9:32573017:A:G	L15P	0.971
9:32572978:A:T	L28Q	0.970
9:32571000:G:C	P78R	0.968
9:32572987:T:G	D25A	0.965
9:32572993:A:T	L23Q	0.965

dbSNP variants (sampled 300 via entrez): RS1000031496 (9:32572824 C>G,T), RS1000116774 (9:32568356 T>A), RS1000128902 (9:32559151 C>A), RS1000297072 (9:32554857 T>C), RS1000384633 (9:32556650 C>T), RS1000730629 (9:32554431 G>A), RS1000732360 (9:32563326 C>G,T), RS1000822371 (9:32566099 T>C), RS1000838319 (9:32559493 G>A), RS1000936408 (9:32565873 G>A), RS1001376389 (9:32574760 C>T), RS1001514402 (9:32562553 T>C), RS1001704904 (9:32574133 C>A,T), RS1002045664 (9:32572055 A>C), RS1002459052 (9:32552599 C>A,G)

Disease associations

OMIM: gene MIM:603322 | disease phenotypes:

GenCC curated gene-disease

Mondo (0):

Orphanet (0):

HPO phenotypes

0 total (0 of 0 shown, HPO-id order):

GWAS associations

1 associations (top):

Study	Trait	p-value
GCST001532_2	Immune response to smallpox vaccine (IL-6)	1.000000e-07

EFO canonical traits (2, from GWAS)

EFO ID	Trait name
EFO:0004645	response to vaccine
EFO:0004873	cytokine measurement

Drugs & pharmacology

Drug and pharmacology data

Is drug target: yes

ChEMBL targets (2): CHEMBL2192 (SINGLE PROTEIN), CHEMBL2363065 (PROTEIN COMPLEX)

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

ChEMBL bioactivities

10 potent at pChembl≥5 of 20 total, top 10 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
5.46	Kd	3490	nM	CHEMBL5653589
5.46	ED50	3490	nM	CHEMBL5653589
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

9 with measured affinity, of 30 total; 5 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
4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide	2148847: Binding affinity to human NDUFB6 incubated for 45 mins by Kinobead based pull down assay	kd	3.4897	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

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

Chemical	Actions (top 5)	PubMed papers
bisphenol A	decreases expression, affects expression	2
trichostatin A	affects expression, decreases reaction, increases expression	2
tris(2-butoxyethyl) phosphate	decreases expression, increases abundance, increases expression	2
sodium arsenite	increases expression	2
Acetaminophen	affects expression, affects cotreatment, decreases expression	2
Tretinoin	affects cotreatment, increases expression, decreases expression	2
Particulate Matter	decreases expression, increases abundance, affects cotreatment	2
3-((6-(2-methoxyphenyl)pyrimidin-4-yl)amino)phenyl)methane sulfonamide	increases expression	1
bisphenol F	increases expression	1
dicrotophos	decreases expression	1
triphenyl phosphate	affects expression	1
O,O-diethyl O-3,5,6-trichloro-2-pyridyl phosphate	affects expression, affects response to substance	1
beta-lapachone	decreases expression	1
tris(1,3-dichloro-2-propyl)phosphate	decreases expression	1
coenzyme Q10	decreases expression, decreases reaction, increases expression	1
tris(chloroethyl)phosphate	decreases expression, increases abundance	1
isobutyl alcohol	affects cotreatment, decreases expression, increases abundance	1
perfluorooctane sulfonic acid	increases expression	1
manganese(III)-tetrakis(4-benzoic acid)porphyrin	decreases expression, decreases reaction, increases expression	1
perfluoro-n-nonanoic acid	increases expression	1
K 7174	decreases expression	1
erucylphospho-N,N,N-trimethylpropylammonium	decreases expression	1
ICG 001	increases expression	1
bisphenol B	increases expression	1
Grape Seed Proanthocyanidins	affects cotreatment, increases expression	1
bisphenol S	increases expression	1
bisphenol AF	increases expression	1
Sunitinib	decreases expression	1
Acetylcysteine	decreases expression, decreases reaction, increases expression	1
Air Pollutants	increases abundance, decreases 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
CHEMBL5651889	Binding	Binding affinity to human NDUFB6 incubated for 45 mins by Kinobead based pull down assay	NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. — ChemMedChem

Cellosaurus cell lines

3 cell lines: 3 cancer cell line

First 10 cell lines (id-ordered, not curated):

Cellosaurus	Name	Category	Sex
CVCL_D1P2	Abcam K-562 NDUFB6 KO	Cancer cell line	Female
CVCL_D2KM	Abcam Raji NDUFB6 KO	Cancer cell line	Male
CVCL_WQ04	Abcam Jurkat NDUFB6 KO	Cancer cell line	Male

Clinical trials (associated diseases)

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