KpATCC43816 Protein target profile

bacterioferritin

Accession: VK055_3753

Gene: bfr AIK82307.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism 2 reactions UniProt A6TEX5

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Length 128

Pocket druggability (P2Rank · AlphaFold DB model) 0.235

Metabolic reactions 2

Chokepoint No

Direct ligand evidence 0 63 total records

Functional annotation 0 EC 3 GO

Target summary

Promising target candidate with multiple supporting evidence streams.

Automated synthesis of the evidence currently loaded. Review the underlying records before prioritizing this protein.

Main supporting evidence

No isoenzyme backup detected Imported GPR rules do not show an alternative enzyme for the catalyzed reaction set. No similar human protein detected The current BLAST sequence screen did not find a significant human match, lowering apparent off-target risk. Moderate predicted binding pocket FPocket selected-pocket score 0.40. This supports review but is not experimental validation. Structure available AlphaFold DB model + ColabFold model Review the complete evidence below

Risks to review

Evidence coverage

Core evidence streams are available for this target.

Terms and data sources used on this page

PDB: experimentally determined structures from the Protein Data Bank. These are the strongest structural evidence, but may cover only part of the protein.

AlphaFold DB model: a precomputed predicted structure downloaded from AlphaFold Database/UniProt, not an experiment performed here.

ColabFold model: a predicted structure generated for this workspace; interpret it with coverage and confidence.

pLDDT: confidence score for predicted structures. High values support local geometry; low values mean the region should not drive pocket interpretation.

FPocket / P2Rank: software tools that predict possible ligand-binding pockets on a 3D structure. They are useful screening signals, not experimental validation.

Druggability: a pocket-based estimate of whether a small molecule could bind productively. It does not mean a drug already exists.

PDB ligand: a compound observed in an experimental structure. Direct same-protein records are stronger than homolog-transferred records.

ChEMBL: a public database of measured compound bioactivity. Direct entries are stronger than entries transferred from similar proteins.

ZINC: a purchasable-compound database. Here it marks proposed candidates from chemical similarity, not measured binders.

LigQ / LigQ_2: an internal Target pipeline step that gathers PDB, ChEMBL, and ZINC ligand evidence for each protein.

Off-target: sequence similarity to proteins we prefer not to hit, such as human proteins or beneficial gut microbiome proteins.

DEG: Database of Essential Genes. A match suggests the protein resembles genes known to be essential in other organisms.

Roary / CoreCruncher: pan-genome tools used to decide whether a gene is core across analyzed strains or accessory/strain-specific.

EC / GO: functional annotations: EC describes enzyme reactions; GO describes biological process, molecular function, or cellular component.

KEGG pathway: a curated metabolic route label used here to group reactions imported from the metabolic model.

Chokepoint: a metabolic reaction that is the only producer or consumer of a metabolite in the imported model.

Prioritization evidence

Selectivity, essentiality, structural confidence, conservation, and predicted binding-site evidence.

Off-target risk

Human off-target: No hit
Gut microbiome similarity: 3.2% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): N
DEG identity (%): 0.0 Higher values support similarity to known essential genes.

Structure confidence

ColabFold pLDDT: 96.89 0-100 confidence; >70 supports local structural interpretation.

Binding-site evidence

AlphaFold DB / UniProt model

P2Rank's binding-site probability is the primary druggability signal shown across the app; FPocket's druggability score is shown alongside it for comparison. Both estimate small-molecule pocket quality after applying the curated structure priority — neither is experimental binding evidence. The 3D viewer may show a different loaded structure, so visible pockets can differ.

Druggability (P2Rank) 0.235

Structure A6TEX5

Pocket Pocket 1

Druggability (FPocket) 0.403

Structure A6TEX5

Pocket Pocket 2

ColabFold model

P2Rank 0.237 · Pocket 1

FPocket 0.305 · Pocket 6

Core conservation Accessory gene

Roary core

CoreCruncher accessory

Gut microbiome 154 / 4744 genomes with a hit

Prevalence 3.2%

Metabolic context

Reactions catalyzed, pathway membership, and centrality in the genome-scale metabolic network.

Explore metabolic network

Metabolic context: no human homolog detected.

Relative network centrality 0.0% more central than 0.0% of genes in this genome

Chokepoint Not a chokepoint

Imported from KpATCC43816.sbml · 2026-07-09

Sequence

Primary amino-acid sequence viewer.

MFKNWGLMRLNDIEYHESIDEMKHADKYIERILFLEGIPNLQDLGKLGIGEDVEEMLRSDLRLELEGAQNLREAIAYADSVHDYVSRDMMIEILADEEGHIDWLETELDLIGKIGLQNYLQSQIKVSD

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Subcellular localization

Localization: Cytoplasmic

Gene Ontology (GO)

GO:0006826 The directed movement of iron (Fe) ions into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
GO:0008199 Binding to a ferric iron ion, Fe(III).
GO:0006879 A homeostatic process involved in the maintenance of a steady state level of iron ions within a cell.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

25 records

Show feature table

Start	End	DB	Term	Name
1	128	Gene3D	G3DSA:1.20.1260.10	-
1	128	InterPro	IPR012347	Ferritin-like
1	127	PIRSF	PIRSF002560	Bacterioferritin
1	127	InterPro	IPR002024	Bacterioferritin
14	34	PRINTS	PR00601	Bacterioferritin signature
14	34	InterPro	IPR002024	Bacterioferritin
98	119	PRINTS	PR00601	Bacterioferritin signature
98	119	InterPro	IPR002024	Bacterioferritin
77	97	PRINTS	PR00601	Bacterioferritin signature
77	97	InterPro	IPR002024	Bacterioferritin
56	76	PRINTS	PR00601	Bacterioferritin signature
56	76	InterPro	IPR002024	Bacterioferritin
35	55	PRINTS	PR00601	Bacterioferritin signature
35	55	InterPro	IPR002024	Bacterioferritin
1	124	CDD	cd00907	Bacterioferritin
1	124	InterPro	IPR002024	Bacterioferritin
1	125	PANTHER	PTHR30295	BACTERIOFERRITIN
1	115	ProSiteProfiles	PS50905	Ferritin-like diiron domain profile.
1	115	InterPro	IPR009040	Ferritin-like diiron domain
1	112	Pfam	PF00210	Ferritin-like domain
1	112	InterPro	IPR008331	Ferritin/DPS protein domain
1	125	NCBIfam	TIGR00754	bacterioferritin
1	125	InterPro	IPR002024	Bacterioferritin
1	124	SUPERFAMILY	SSF47240	Ferritin-like
1	124	InterPro	IPR009078	Ferritin-like superfamily

3D structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; AlphaFold DB and ColabFold models typically cover the full protein but remain computational predictions.

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Pocket score High Medium Low

How colors and pocket overlays are used

Uniform protein color marks the displayed model as a single molecular object.

Experimental PDB structures may be colored by chain to distinguish subunits or copies present in the file.

Pocket colors and alpha spheres are evidence overlays for predicted binding cavities; they are not alternative protein chains.

'Alpha spheres' is FPocket's own cavity-shape geometry, imported when available and aligned with the loaded structure.

'Pocket atoms'/'Predicted site atoms' show the pocket's residue atoms instead: P2Rank reports residues rather than alpha spheres, and FPocket falls back to this when alpha-sphere geometry is unavailable or doesn't align.

'No pocket geometry' means neither alpha spheres nor residue-position data could be found for that pocket; the layer just highlights the same residues as 'Nearby residues'.

Pocket details Inspect a specific pocket, or open the full viewer

Binding pockets · P2Rank

Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Pocket 1 P2Rank #1

0.235

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Surrounding area

Pocket 2 P2Rank #2

0.14

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Surrounding area

Pocket 3 P2Rank #3

0.02

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Surrounding area

Binding pockets · FPocket

Druggability (FPocket): high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Pocket 1 FPocket #2

0.403

Show in viewer

Surrounding area

Residue sets

UniProt: Binding site:100-100

UniProt: Binding site:16-16

UniProt: Binding site:20-20

UniProt: Binding site:21-21

UniProt: Binding site:22-22 axial binding residue

UniProt: Binding site:24-24

UniProt: Binding site:64-64

UniProt: Binding site:97-97

Binding pockets · P2Rank

Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Pocket 1 P2Rank #1

0.237

Show in viewer

Surrounding area

Pocket 2 P2Rank #2

0.148

Show in viewer

Surrounding area

Pocket 3 P2Rank #3

0.037

Show in viewer

Surrounding area

Residue sets

UniProt: Binding site:100-100

UniProt: Binding site:16-16

UniProt: Binding site:20-20

UniProt: Binding site:21-21

UniProt: Binding site:22-22 axial binding residue

UniProt: Binding site:24-24

UniProt: Binding site:64-64

UniProt: Binding site:97-97

All structural evidence 0 experimental · 2 predicted

Structural evidence

0 + 2

Experimental PDB entries plus predicted AlphaFold DB or ColabFold models. Click Switch to display a different loaded structure in the viewer.

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold DB AF_A6TEX5	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_3753	ColabFold	—	—	full sequence	—	Loaded

Ligand evidence

Ligands grouped by evidence source. PDB ligands keep the source crystal visible, and loaded crystals can be opened directly in the structure viewer.

63 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 13 records from similar proteins

Structural ligands 13 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

3PY PDB via homolog 104.1 Da · LogP -1.37 · TPSA 74.6 Open detail RCSB PDB

BTB PDB via homolog Detail RCSB PDB

CXS PDB via homolog Detail RCSB PDB

FEC PDB via homolog Detail RCSB PDB

FES PDB via homolog Detail RCSB PDB

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in Target, use Open crystal to inspect it in the structure viewer.

No PDB structure with a co-crystallized ligand found for this exact protein.

Structural evidence inferred from similar proteins. The source crystal indicates where the ligand was observed; the UniProt column identifies the homologous protein carrying that ligand.

Ligand	Source crystal	UniProt (homolog)	MW · LogP · TPSA	Lipinski	PAINS	SMILES
3PY RCSB PDB	1NFV	Q93PP9	104.1 Da LogP -1.37 TPSA 74.6	✓ Ro5	✓ Clean	`C(C(=O)C(=O)O)O`
BTB RCSB PDB	2Y3Q	P0ABD3	209.2 Da LogP -3.01 TPSA 104.4	✓ Ro5	✓ Clean	`C(CO)N(CCO)C(CO)(CO)CO`
CXS RCSB PDB	3R2H	Q9HWF9	221.3 Da LogP 1.19 TPSA 66.4	✓ Ro5	✓ Clean	`C1CCC(CC1)NCCCS(=O)(=O)O`
FEC RCSB PDB	1NFV	Q93PP9	708.5 Da LogP 2.75 TPSA 165.1	1 viol.	✓ Clean	`Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe@]47n2c(c1CCC(=O)O…`
FES RCSB PDB	4E6K	Q9HY79	175.8 Da LogP 1.29 TPSA 0.0	✓ Ro5	✓ Clean	`S1[Fe]S[Fe]1`
KSY RCSB PDB	6NLN	Q9HY79	296.3 Da LogP 2.32 TPSA 78.4	✓ Ro5	✓ Clean	`c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O`
KT1 RCSB PDB	6NLM	Q9HY79	326.4 Da LogP 2.33 TPSA 87.7	✓ Ro5	✓ Clean	`COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O`
KT4 RCSB PDB	6NLL	Q9HY79	312.3 Da LogP 2.03 TPSA 98.7	✓ Ro5	✓ Clean	`c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O`
KT7 RCSB PDB	6NLG	Q9HY79	163.1 Da LogP 0.28 TPSA 66.4	✓ Ro5	✓ Clean	`c1cc2c(cc1O)C(=O)NC2=O`
KTG RCSB PDB	6NLK	Q9HY79	296.3 Da LogP 2.32 TPSA 78.4	✓ Ro5	✓ Clean	`c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O`
KTM RCSB PDB	6NLI	Q9HY79	268.3 Da LogP 1.89 TPSA 78.4	✓ Ro5	Alert	`c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O`
KTV RCSB PDB	6NLJ	Q9HY79	268.3 Da LogP 1.89 TPSA 78.4	✓ Ro5	✓ Clean	`c1cc(cc(c1)O)CNc2cccc3c2C(=O)NC3=O`
MLI RCSB PDB	6P8K	P0ABD3	102.0 Da LogP -3.12 TPSA 80.3	✓ Ro5	✓ Clean	`C(C(=O)[O-])C(=O)[O-]`

Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL bioactivity data found for this exact protein.

Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL hits found through similar proteins.

Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).

Ligand	Tanimoto	MW · LogP · TPSA	Lipinski	PAINS	SMILES
ZINC1615342 ZINC	1.000	209.2 Da LogP -3.01 TPSA 104.4	✓ Ro5	✓ Clean	`OCCN(CCO)C(CO)(CO)CO`
ZINC2004372 ZINC	1.000	221.3 Da LogP 1.19 TPSA 66.4	✓ Ro5	✓ Clean	`O=S(=O)(O)CCCNC1CCCCC1`
ZINC38364153 ZINC	0.926	235.3 Da LogP 1.58 TPSA 66.4	✓ Ro5	✓ Clean	`O=S(=O)(O)CCCCNC1CCCCC1`
ZINC1710230 ZINC	0.786	207.3 Da LogP 0.80 TPSA 66.4	✓ Ro5	✓ Clean	`O=S(=O)(O)CCNC1CCCCC1`
ZINC5188799 ZINC	0.630	280.5 Da LogP 4.39 TPSA 24.1	✓ Ro5	✓ Clean	`C(CCCNC1CCCCC1)CCNC1CCCCC1`
ZINC406661 ZINC	0.615	226.0 Da LogP 1.33 TPSA 46.2	✓ Ro5	✓ Clean	`O=C1NC(=O)c2cc(Br)ccc21`
ZINC136922 ZINC	0.587	330.3 Da LogP 2.90 TPSA 75.3	✓ Ro5	✓ Clean	`O=C(Cc1cccc2ccccc12)Nc1cccc2c1C(=O)NC2=O`
ZINC1695097 ZINC	0.571	215.3 Da LogP 2.71 TPSA 52.5	✓ Ro5	Alert	`Oc1ccccc1CNc1ccccc1O`
ZINC56857 ZINC	0.571	320.3 Da LogP 0.68 TPSA 109.4	✓ Ro5	✓ Clean	`O=C(c1ccc2c(c1)C(=O)NC2=O)c1ccc2c(c1)C(=O)NC2=O`
ZINC6702053 ZINC	0.568	280.3 Da LogP 1.75 TPSA 75.3	✓ Ro5	✓ Clean	`O=C(Cc1ccccc1)Nc1cccc2c1C(=O)NC2=O`
ZINC146805479 ZINC	0.560	212.2 Da LogP 2.31 TPSA 57.5	✓ Ro5	✓ Clean	`O=C1c2ccc(O)cc2-c2cc(O)ccc21`
ZINC235319 ZINC	0.560	212.2 Da LogP 2.31 TPSA 57.5	✓ Ro5	✓ Clean	`O=C1c2cc(O)ccc2-c2ccc(O)cc21`
ZINC3860201 ZINC	0.560	240.2 Da LogP 1.87 TPSA 74.6	✓ Ro5	Alert	`O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21`
ZINC5844921 ZINC	0.560	240.2 Da LogP 1.87 TPSA 74.6	✓ Ro5	Alert	`O=C1c2ccc(O)cc2C(=O)c2cc(O)ccc21`
ZINC118148564 ZINC	0.556	273.0 Da LogP 1.17 TPSA 46.2	✓ Ro5	✓ Clean	`O=C1NC(=O)c2cc(I)ccc21`
ZINC3279388 ZINC	0.537	204.2 Da LogP 0.53 TPSA 75.3	✓ Ro5	✓ Clean	`CC(=O)Nc1cccc2c1C(=O)NC2=O`
ZINC2509149 ZINC	0.531	211.4 Da LogP 4.27 TPSA 12.0	✓ Ro5	✓ Clean	`CCCCCCCCNC1CCCCC1`
ZINC130127586 ZINC	0.529	260.4 Da LogP 1.38 TPSA 58.2	✓ Ro5	✓ Clean	`O=S(=O)(NCCNC1CCCCCC1)C1CC1`
ZINC226860030 ZINC	0.528	318.3 Da LogP 1.08 TPSA 112.6	✓ Ro5	Alert	`O=C1NC(=O)c2cc(S(=O)(=O)Nc3ccc(O)cc3)ccc21`
ZINC1512745 ZINC	0.523	266.3 Da LogP 1.82 TPSA 75.3	✓ Ro5	✓ Clean	`O=C(Nc1cccc2c1C(=O)NC2=O)c1ccccc1`
ZINC19900891 ZINC	0.523	249.3 Da LogP 4.16 TPSA 32.3	✓ Ro5	✓ Clean	`Oc1cccc(CNc2cccc3ccccc23)c1`
ZINC19944707 ZINC	0.523	217.2 Da LogP 3.14 TPSA 32.3	✓ Ro5	✓ Clean	`Oc1cccc(CNc2ccccc2F)c1`
ZINC16648552 ZINC	0.522	246.3 Da LogP 1.55 TPSA 75.3	✓ Ro5	✓ Clean	`CC[C@@H](C)C(=O)Nc1cccc2c1C(=O)NC2=O`
ZINC16648554 ZINC	0.522	246.3 Da LogP 1.55 TPSA 75.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)Nc1cccc2c1C(=O)NC2=O`
ZINC2334905 ZINC	0.522	261.4 Da LogP 1.10 TPSA 63.9	✓ Ro5	✓ Clean	`CC(C)CCN(CCC(C)C)C(CO)(CO)CO`
ZINC3159953 ZINC	0.522	261.4 Da LogP 1.38 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCN(CCCCC)C(CO)(CO)CO`
ZINC19367005 ZINC	0.519	224.4 Da LogP 2.83 TPSA 24.1	✓ Ro5	✓ Clean	`C1CCC(NCCNC2CCCCC2)CC1`
ZINC208543 ZINC	0.517	203.2 Da LogP 1.87 TPSA 46.2	✓ Ro5	✓ Clean	`CC(C)(C)c1ccc2c(c1)C(=O)NC2=O`
ZINC5268326 ZINC	0.511	298.3 Da LogP 1.89 TPSA 75.3	✓ Ro5	✓ Clean	`O=C(Cc1ccc(F)cc1)Nc1cccc2c1C(=O)NC2=O`
ZINC4078608 ZINC	0.510	294.3 Da LogP 2.14 TPSA 75.3	✓ Ro5	✓ Clean	`O=C(CCc1ccccc1)Nc1cccc2c1C(=O)NC2=O`
ZINC1027896 ZINC	0.500	266.2 Da LogP 0.61 TPSA 92.3	✓ Ro5	✓ Clean	`O=c1[nH]c(=O)c2ccc3c(=O)[nH]c(=O)c4ccc1c2c43`
ZINC115286332 ZINC	0.500	237.3 Da LogP 2.16 TPSA 46.2	✓ Ro5	✓ Clean	`O=C1NC(=O)c2c(Cc3ccccc3)cccc21`
ZINC13973188 ZINC	0.500	330.3 Da LogP 2.90 TPSA 75.3	✓ Ro5	✓ Clean	`O=C(Cc1ccc2ccccc2c1)Nc1cccc2c1C(=O)NC2=O`
ZINC1672446 ZINC	0.500	228.3 Da LogP 1.49 TPSA 75.3	✓ Ro5	✓ Clean	`N[C@@H](CCCCNC1CCCCC1)C(=O)O`
ZINC1728849 ZINC	0.500	215.1 Da LogP 1.59 TPSA 46.2	✓ Ro5	✓ Clean	`O=C1NC(=O)c2cc(C(F)(F)F)ccc21`
ZINC1758087 ZINC	0.500	204.2 Da LogP 0.53 TPSA 75.3	✓ Ro5	✓ Clean	`CC(=O)Nc1ccc2c(c1)C(=O)NC2=O`
ZINC2168583 ZINC	0.500	237.3 Da LogP 0.16 TPSA 86.6	✓ Ro5	✓ Clean	`O=S(=O)(O)C[C@@H](O)CNC1CCCCC1`
ZINC2168584 ZINC	0.500	237.3 Da LogP 0.16 TPSA 86.6	✓ Ro5	✓ Clean	`O=S(=O)(O)C[C@H](O)CNC1CCCCC1`
ZINC226859898 ZINC	0.500	332.3 Da LogP 1.39 TPSA 112.6	✓ Ro5	Alert	`Cc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O`
ZINC236994621 ZINC	0.500	290.4 Da LogP 0.85 TPSA 75.3	✓ Ro5	✓ Clean	`CCS(=O)(=O)CC(=O)NCCNC1CCCCCC1`
ZINC37125052 ZINC	0.500	256.3 Da LogP 2.03 TPSA 75.4	✓ Ro5	✓ Clean	`NC(=O)Cc1ccccc1NCc1cccc(O)c1`
ZINC3896782 ZINC	0.500	224.2 Da LogP 2.17 TPSA 54.4	✓ Ro5	Alert	`O=C1c2ccccc2C(=O)c2cc(O)ccc21`
ZINC401250 ZINC	0.500	249.3 Da LogP 4.16 TPSA 32.3	✓ Ro5	Alert	`Oc1ccccc1CNc1cccc2ccccc12`
ZINC44655186 ZINC	0.500	213.4 Da LogP 3.12 TPSA 21.3	✓ Ro5	✓ Clean	`COCCCCNC1CCCCCCC1`
ZINC5297554 ZINC	0.500	289.5 Da LogP 2.16 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCCN(CCCCCC)C(CO)(CO)CO`
ZINC55221 ZINC	0.500	223.2 Da LogP 2.24 TPSA 46.2	✓ Ro5	✓ Clean	`O=C1NC(=O)c2cc(-c3ccccc3)ccc21`
ZINC575432149 ZINC	0.500	254.0 Da LogP 0.90 TPSA 63.2	✓ Ro5	✓ Clean	`O=C1NC(=O)c2cc(Br)ccc2C1=O`
ZINC5840523 ZINC	0.500	228.3 Da LogP 1.49 TPSA 75.3	✓ Ro5	✓ Clean	`N[C@H](CCCCNC1CCCCC1)C(=O)O`
ZINC97941822 ZINC	0.500	317.5 Da LogP 2.94 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCCCN(CCCCCCC)C(CO)(CO)CO`
ZINC97942927 ZINC	0.500	373.6 Da LogP 4.51 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCCCCCN(CCCCCCCCC)C(CO)(CO)CO`

PDB and ChEMBL records on this protein are shown in full. ChEMBL records from similar proteins are capped at the top 100 per protein (by pchembl) and ZINC at the top 50 (Tanimoto ≥ 0.5). ADME columns are descriptor-based screening flags, not experimental toxicity results.

Cross-references

External database identifiers for this protein, its structures, ligands, and metabolic reactions.

Sequence

UniProt A6TEX5

Pathways

BioCyc RXN0-1483[CCO-PERI-BAC]-FE+2/PROTON/OXYGEN-MOLECULE//FE+3/WATER.54. BioCyc RXN0-1483[CCO-CYTOSOL]-FE+2/PROTON/OXYGEN-MOLECULE//FE+3/WATER.53.