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PsychedeliaDokholyan Laboratory
TargetEnzymes

Cytochrome P450 2A6

Named enzymes, including the metabolising cytochromes and the monoamine oxidases.

Measurements
20
Compounds
10
Binding constants
11
Median pX
5.77

I · Identity

What this target is

Its function as UniProt states it, where in a cell the protein is found, and which cell types and tissues transcribe its gene.

Protein

CP2A6_HUMANCYP2A6Homo sapiens

Cytochrome P450 2A6

Exhibits a high coumarin 7-hydroxylase activity. Can act in the hydroxylation of the anti-cancer drugs cyclophosphamide, ifosphamide and tegafur. Competent in the metabolic activation of aflatoxin B1. Constitutes the major nicotine C-oxidase. Acts as a 1,4-cineole 2-exo-monooxygenase. Possesses low phenacetin O-deethylation activity

Quoted from UniProt’s FUNCTION annotation for P11509 (reviewed).

What it acts with

STRING’s highest-confidence human functional partners. The combined score mixes several kinds of evidence, so each channel is shown separately — a partner supported by experiment is a different claim from one supported only by text mining, and for a receptor this is where its coupling appears as evidence rather than as assertion.

PartnerCombinedExperimentDatabaseText mining
CYP2A70.9990.1980.0000.330
CYP3A40.9750.0760.9070.623
UGT2B70.9730.0000.9050.718
UGT1A40.9720.0000.9070.698
CYP4A110.9700.0710.9080.538
CYP1A20.9690.0000.9110.511
UGT1A60.9690.0000.9070.668
UGT2B100.9680.0000.9050.663
UGT1A100.9650.0000.9070.629
UGT1A70.9650.0000.9070.628

Where it sits in the cell

UniProt, curated Endoplasmic reticulum membrane · Microsome membrane

Expression by cell type

Single cell type RNA, the 1 highest of those the Human Protein Atlas reports for this gene. Transcript, not protein, and a cell type rather than a tissue.

  • Hepatocytes322.5 nCPM

Expression by tissue

The tissues this gene is enriched in, by consensus RNA. A tissue absent from this list is one the Atlas does not call specific for this gene, which is not the same as absent from it.

  • liver1,507.9 nTPM

II · Anatomy

Where the gene is transcribed

The same two atlases the compound plates use, asked about this gene alone. Brain on the left, peripheral and autonomic tissues on the right.

Brain

cerebral cortex — no resolved target expressed herecerebellum — no resolved target expressed herehippocampal formation — no resolved target expressed hereamygdala — no resolved target expressed herehypothalamus — 0.1 nTPM, from CYP2A6thalamus — no resolved target expressed herebasal ganglia — no resolved target expressed heremedulla oblongata — no resolved target expressed here

basal ganglia: drawn as the caudate nucleus, putamen and globus pallidus.

Body

heart — no resolved target expressed heresmooth muscle — 0.1 nTPM, from CYP2A6lung — 0.3 nTPM, from CYP2A6liver — 1507.9 nTPM, from CYP2A6kidney — 0.2 nTPM, from CYP2A6stomach — no resolved target expressed hereduodenum — no resolved target expressed heresmall intestine — no resolved target expressed herecolon — no resolved target expressed hereadrenal gland — 0.2 nTPM, from CYP2A6thyroid gland — no resolved target expressed herepancreas — no resolved target expressed hereurinary bladder — 0.4 nTPM, from CYP2A6skeletal muscle — no resolved target expressed herespleen — 0.1 nTPM, from CYP2A6salivary gland — no resolved target expressed here
01508 nTPM

Square-root ramp · shared scale across both plates

Shading is transcript level — not affinity, and not affinity combined with expression. Outlined but unshaded organs hold none of CYP2A6 transcript above the atlas’s detection threshold. Anatomy from EMBL-EBI Anatomogram (Apache License 2.0); regions identified by Uberon (uberon.org), CC BY 3.0.

Brain · 1

  • hypothalamus0.1 nTPM

Peripheral and autonomic · 7

  • liver1507.9 nTPM
  • urinary bladder0.4 nTPM
  • lung0.3 nTPM
  • kidney0.2 nTPM
  • adrenal gland0.2 nTPM
  • smooth muscle0.1 nTPM
  • spleen0.1 nTPM

Transcript is not protein. These are RNA levels for CYP2A6, shaded on √nTPM so that a three-order range stays legible — on a linear ramp every region but the strongest would read as blank, which looks like absence rather than less. A region carrying no shading is one the atlas reports no consensus value for, not one where the gene is silent. And a gene being transcribed somewhere is not evidence that any compound reaches it. Human Protein Atlas, RNA expression, nTPM (normalized transcripts per million), consensus tissue dataset.

III · Ranking

Compounds by strongest binding constant

One bar per compound: its strongest Ki or Kd at this target, expressed as pX. Compounds measured here only by a functional assay do not appear — they are in the table below.

  1. 01Cannabinol6.00
  2. 02Tryptamine5.77

IV · Evidence

Every measurement at this target

Each row links to the ChEMBL assay it came from.

Equilibrium binding constants 11

Ki and Kd — a concentration at equilibrium. Directly comparable across rows at the same target.

TargetClassTypeValue (nM)pXOrganismAssay
Cytochrome P450 2A6EnzymesKi1,0006.00Homo sapiensCHEMBL5096668
Cytochrome P450 2A6EnzymesKi1,7005.77Homo sapiensCHEMBL3532209
Cytochrome P450 2A6EnzymesKd2,3005.64Homo sapiensCHEMBL3532204
Cytochrome P450 2A6EnzymesKi— no normalized value— value does not convert to pXHomo sapiensCHEMBL1909133
Cytochrome P450 2A6EnzymesKi— no normalized value— value does not convert to pXHomo sapiensCHEMBL1909133
Cytochrome P450 2A6EnzymesKi— no normalized value— value does not convert to pXHomo sapiensCHEMBL1909133
Cytochrome P450 2A6EnzymesKi— no normalized value— value does not convert to pXHomo sapiensCHEMBL1909133
Cytochrome P450 2A6EnzymesKi— no normalized value— value does not convert to pXHomo sapiensCHEMBL4687728
Cytochrome P450 2A6EnzymesKi— no normalized value— value does not convert to pXHomo sapiensCHEMBL1909133
Cytochrome P450 2A6EnzymesKi— no normalized value— value does not convert to pXHomo sapiensCHEMBL1909133
Cytochrome P450 2A6EnzymesKi— no normalized value— value does not convert to pXHomo sapiensCHEMBL1909133

Functional readouts 8

IC₅₀, EC₅₀, AC₅₀ and potency. Assay-dependent, and not interchangeable with a binding constant.

TargetClassTypeValue (nM)pXOrganismAssay
Cytochrome P450 2A6EnzymesIC5030,4004.52Homo sapiensCHEMBL5096667
Cytochrome P450 2A6EnzymesIC50— no normalized value— value does not convert to pXHomo sapiensCHEMBL1909133
Cytochrome P450 2A6EnzymesIC50— no normalized value— value does not convert to pXHomo sapiensCHEMBL1909133
Cytochrome P450 2A6EnzymesIC50— no normalized value— value does not convert to pXHomo sapiensCHEMBL1909133
Cytochrome P450 2A6EnzymesIC50— no normalized value— value does not convert to pXHomo sapiensCHEMBL1909133
Cytochrome P450 2A6EnzymesIC50— no normalized value— value does not convert to pXHomo sapiensCHEMBL1909133
Cytochrome P450 2A6EnzymesIC50— no normalized value— value does not convert to pXHomo sapiensCHEMBL1909133
Cytochrome P450 2A6EnzymesIC50— no normalized value— value does not convert to pXHomo sapiensCHEMBL1909133

Other measurements 1

Everything else ChEMBL recorded for this compound — percentage inhibition, efficacy, half-life, cytotoxicity. Reported in the assay's own units, which is why no value is converted here.

TargetClassTypeValue (nM)pXOrganismAssay
Cytochrome P450 2A6EnzymesActivity— no normalized value— value does not convert to pXHomo sapiensCHEMBL1743275
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