KpATCC43816 Protein target profile

non-heme chloroperoxidase

Accession: VK055_5070

Gene: cpo AIK83596.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism 1 reaction UniProt A0A0H3GV49

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Length 278

Pocket druggability (P2Rank · AlphaFold DB model) 0.67

Metabolic reactions 1

Chokepoint No

Direct ligand evidence 0 66 total records

Functional annotation 0 EC 0 GO

Target summary

Strong target candidate with converging metabolic, structural and chemical evidence.

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

Main supporting evidence

Independent pocket support: P2Rank + FPocket Both predictors report a high-scoring binding site (P2Rank 0.67, FPocket 0.88). Use the 3D pocket comparison to verify whether they identify the same site. No isoenzyme backup detected Imported GPR rules do not show an alternative enzyme for the catalyzed reaction set. Core gene across strains Marked as conserved by both pan-genome tools: Roary and CoreCruncher. Strong predicted binding pocket FPocket selected-pocket score 0.88. This is a computational pocket signal, not binding validation. 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: Hit
Human identity (%): 30.682 Lower values reduce human off-target concern.
Human E-value: 9.1e-06
Gut microbiome similarity: 1.7% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): N
DEG identity (%): 27.839 Higher values support similarity to known essential genes.

Structure confidence

ColabFold pLDDT: 98.33 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) 0.67

Structure A0A0H3GV49

Pocket Pocket 1

Druggability (FPocket) 0.878

Structure A0A0H3GV49

Pocket Pocket 1

ColabFold model

P2Rank 0.71 · Pocket 1

FPocket 0.765 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 79 / 4744 genomes with a hit

Prevalence 1.7%

Metabolic context

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

Explore metabolic network

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.

MAFVTTQDGVNIYFKDWGPKEAQPIVFHHGWPLSADDWDNQMLFFLAEGFRVIAIDRRGHGRSDQVSEGHDMDHYAADVSAVVEHLDLHNAVHVGHSTGGGQVARYVARYGQPQGRVAKAVLISAVPPLMVKTEQNPGGTPIEVFDGFRKALAANRAQFYLDVASGPFYGFNRDGAEISQGTIHNWWRQGMIGSAKAHYEGIKAFSETDQTEDLKSITLPVLVMQGDDDQVVPYKNAAILQDKLLPNSQLKIYPGFPHGMHTSHADTINADLLAFIRA

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

Subcellular localization

Localization: Cytoplasmic

No GO or EC annotations are currently loaded for this protein.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

14 records

Show feature table

Start	End	DB	Term	Name
24	258	Pfam	PF00561	alpha/beta hydrolase fold
24	258	InterPro	IPR000073	Alpha/beta hydrolase fold-1
1	278	FunFam	G3DSA:3.40.50.1820:FF:000205	Non-haem bromoperoxidase BPO-A2
2	277	SUPERFAMILY	SSF53474	alpha/beta-Hydrolases
2	277	InterPro	IPR029058	Alpha/Beta hydrolase fold
1	277	Gene3D	G3DSA:3.40.50.1820	alpha/beta hydrolase
1	277	InterPro	IPR029058	Alpha/Beta hydrolase fold
49	64	PRINTS	PR00111	Alpha/beta hydrolase fold signature
49	64	InterPro	IPR000073	Alpha/beta hydrolase fold-1
93	106	PRINTS	PR00111	Alpha/beta hydrolase fold signature
93	106	InterPro	IPR000073	Alpha/beta hydrolase fold-1
221	235	PRINTS	PR00111	Alpha/beta hydrolase fold signature
221	235	InterPro	IPR000073	Alpha/beta hydrolase fold-1
4	276	PANTHER	PTHR43433	HYDROLASE, ALPHA/BETA FOLD FAMILY PROTEIN

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

0.67

Likely same site as FPocket 1 0.4 Å 13 shared residues 100% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.048

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Surrounding area

Pocket 3 P2Rank #3

0.009

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Surrounding area

Pocket 4 P2Rank #4

0.005

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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 #1

0.878

Likely same site as P2Rank 1 0.4 Å 13 shared residues 100% of smaller site

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Surrounding area

Binding pockets · P2Rank

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

Pocket 1 P2Rank #1

0.71

Likely same site as FPocket 1 1.0 Å 13 shared residues 93% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.058

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Surrounding area

Pocket 3 P2Rank #3

0.035

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Surrounding area

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_A0A0H3GV49	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_5070	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.

66 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 16 records from similar proteins

Structural ligands 16 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

6OR PDB via homolog 243.1 Da · LogP 1.95 · TPSA 74.6 Open detail RCSB PDB

6OT PDB via homolog Detail RCSB PDB

ALQ PDB via homolog Detail RCSB PDB

BEZ PDB via homolog Detail RCSB PDB

BUA 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
6OR RCSB PDB	5JZ9	P9WNH5	243.1 Da LogP 1.95 TPSA 74.6	✓ Ro5	✓ Clean	`c1c(cc(c(c1Cl)O)Cl)S(=O)(=O)O`
6OT RCSB PDB	5JZB	P9WNH5	226.1 Da LogP 1.64 TPSA 60.2	✓ Ro5	✓ Clean	`c1c(cc(cc1Cl)Cl)S(=O)(=O)N`
ALQ RCSB PDB	1IUP	P96965	88.1 Da LogP 0.73 TPSA 37.3	✓ Ro5	✓ Clean	`CC(C)C(=O)O`
BEZ RCSB PDB	1UKB	P96965	122.1 Da LogP 1.38 TPSA 37.3	✓ Ro5	✓ Clean	`c1ccc(cc1)C(=O)O`
BUA RCSB PDB	1UK7	P96965	88.1 Da LogP 0.87 TPSA 37.3	✓ Ro5	✓ Clean	`CCCC(=O)O`
EEE RCSB PDB	3HEA	P22862	88.1 Da LogP 0.57 TPSA 26.3	✓ Ro5	✓ Clean	`CCOC(=O)C`
FGZ RCSB PDB	5JZS	P9WNH5	207.0 Da LogP 2.40 TPSA 57.5	✓ Ro5	✓ Clean	`c1c(cc(c(c1Cl)O)Cl)C(=O)O`
HPK RCSB PDB	2WUG	P9WNH5	217.2 Da LogP 0.13 TPSA 74.3	✓ Ro5	✓ Clean	`c1ccc(cc1)C(=O)C\C=C\C(=O)C(=O)[O-]`
IVA RCSB PDB	1UK9	P96965	102.1 Da LogP 1.12 TPSA 37.3	✓ Ro5	✓ Clean	`CC(C)CC(=O)O`
J6Z RCSB PDB	3IA2	P22862	137.2 Da LogP 0.33 TPSA 57.2	✓ Ro5	✓ Clean	`CC[C@@H](C)S(=O)(=O)[O-]`
KEK RCSB PDB	2WUE	P9WNH5	293.7 Da LogP 1.35 TPSA 74.3	✓ Ro5	✓ Clean	`C[C@H](\C=C\C(=O)C(=O)[O-])C(=O)CCc1ccccc1Cl`
KEM RCSB PDB	2WUF	P9WNH5	349.4 Da LogP 0.60 TPSA 111.6	✓ Ro5	✓ Clean	`C[C@H](\C=C\C(=O)C(=O)[O-])C(=O)CC[C@@H]1[C@H]2…`
LEA RCSB PDB	1UK8	P96965	102.1 Da LogP 1.26 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCC(=O)O`
PEO RCSB PDB	3T52	P22862	34.0 Da LogP 0.02 TPSA 40.5	✓ Ro5	✓ Clean	`OO`
PPI RCSB PDB	1A8S	O31158	74.1 Da LogP 0.48 TPSA 37.3	✓ Ro5	✓ Clean	`CCC(=O)O`
SMB RCSB PDB	1UKA	P96965	102.1 Da LogP 1.12 TPSA 37.3	✓ Ro5	✓ Clean	`CC[C@H](C)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
ZINC156492 ZINC	1.000	207.0 Da LogP 2.40 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1cc(Cl)c(O)c(Cl)c1`
ZINC1737176 ZINC	1.000	243.1 Da LogP 1.95 TPSA 74.6	✓ Ro5	✓ Clean	`O=S(=O)(O)c1cc(Cl)c(O)c(Cl)c1`
ZINC90873 ZINC	1.000	226.1 Da LogP 1.64 TPSA 60.2	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(Cl)cc(Cl)c1`
ZINC2243582 ZINC	0.760	223.6 Da LogP 0.87 TPSA 100.6	✓ Ro5	✓ Clean	`Nc1cc(S(=O)(=O)O)cc(Cl)c1O`
ZINC238672089 ZINC	0.739	206.7 Da LogP 0.57 TPSA 86.2	✓ Ro5	✓ Clean	`Nc1cc(Cl)cc(S(N)(=O)=O)c1`
ZINC72260269 ZINC	0.720	251.5 Da LogP 2.51 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1cc(Cl)c(O)c(Br)c1`
ZINC229783808 ZINC	0.708	209.6 Da LogP 1.13 TPSA 60.2	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(F)cc(Cl)c1`
ZINC238502972 ZINC	0.708	205.7 Da LogP 1.30 TPSA 60.2	✓ Ro5	✓ Clean	`Cc1cc(Cl)cc(S(N)(=O)=O)c1`
ZINC238618078 ZINC	0.708	270.5 Da LogP 1.75 TPSA 60.2	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(Cl)cc(Br)c1`
ZINC95724159 ZINC	0.708	207.6 Da LogP 0.69 TPSA 80.4	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(O)cc(Cl)c1`
ZINC1100714 ZINC	0.696	388.1 Da LogP 4.54 TPSA 74.6	✓ Ro5	✓ Clean	`O=S(=O)(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1`
ZINC2041383 ZINC	0.682	225.5 Da LogP 3.35 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1cc(Cl)c(Cl)c(Cl)c1`
ZINC4390302 ZINC	0.652	235.0 Da LogP 2.39 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1cc(Cl)c(C(=O)O)c(Cl)c1`
ZINC45919841 ZINC	0.652	316.9 Da LogP 3.30 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1cc(Cl)c(I)c(Cl)c1`
ZINC156570 ZINC	0.643	202.6 Da LogP 1.75 TPSA 66.8	✓ Ro5	✓ Clean	`COc1cc(C(=O)O)cc(Cl)c1O`
ZINC116231002 ZINC	0.640	207.0 Da LogP 2.40 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1cc(O)c(Cl)c(Cl)c1`
ZINC153772 ZINC	0.640	241.1 Da LogP 2.10 TPSA 54.4	✓ Ro5	✓ Clean	`CS(=O)(=O)c1cc(Cl)c(O)c(Cl)c1`
ZINC2165012 ZINC	0.640	241.1 Da LogP 2.55 TPSA 54.4	✓ Ro5	✓ Clean	`Cc1c(Cl)cc(S(=O)(=O)O)cc1Cl`
ZINC39242131 ZINC	0.640	242.1 Da LogP 1.35 TPSA 80.4	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(Cl)c(O)c(Cl)c1`
ZINC130960739 ZINC	0.630	259.6 Da LogP 2.01 TPSA 60.2	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1`
ZINC216658310 ZINC	0.630	221.7 Da LogP 0.48 TPSA 80.4	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(Cl)cc(CO)c1`
ZINC238418353 ZINC	0.630	221.7 Da LogP 1.00 TPSA 69.4	✓ Ro5	✓ Clean	`COc1cc(Cl)cc(S(N)(=O)=O)c1`
ZINC238618117 ZINC	0.630	216.6 Da LogP 0.86 TPSA 83.9	✓ Ro5	✓ Clean	`N#Cc1cc(Cl)cc(S(N)(=O)=O)c1`
ZINC40449571 ZINC	0.630	235.6 Da LogP 0.69 TPSA 97.5	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1`
ZINC14989295 ZINC	0.625	205.0 Da LogP 3.00 TPSA 37.3	✓ Ro5	✓ Clean	`Cc1c(Cl)cc(C(=O)O)cc1Cl`
ZINC156654 ZINC	0.625	206.0 Da LogP 2.27 TPSA 63.3	✓ Ro5	✓ Clean	`Nc1c(Cl)cc(C(=O)O)cc1Cl`
ZINC16158589 ZINC	0.625	209.0 Da LogP 2.83 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1cc(Cl)c(F)c(Cl)c1`
ZINC1732286 ZINC	0.625	269.9 Da LogP 3.45 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1cc(Cl)c(Br)c(Cl)c1`
ZINC2565996 ZINC	0.625	205.0 Da LogP 2.90 TPSA 37.3	✓ Ro5	✓ Clean	`CC(=O)c1cc(Cl)c(O)c(Cl)c1`
ZINC4426125 ZINC	0.625	206.0 Da LogP 1.80 TPSA 63.3	✓ Ro5	✓ Clean	`NC(=O)c1cc(Cl)c(O)c(Cl)c1`
ZINC88120918 ZINC	0.615	247.1 Da LogP 3.93 TPSA 37.3	✓ Ro5	✓ Clean	`CC(C)(C)C(=O)c1cc(Cl)c(O)c(Cl)c1`
ZINC139948963 ZINC	0.609	260.5 Da LogP 2.29 TPSA 60.2	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(Cl)c(Cl)c(Cl)c1`
ZINC238618371 ZINC	0.607	236.6 Da LogP 0.90 TPSA 103.3	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(Cl)cc([N+](=O)[O-])c1`
ZINC3335916 ZINC	0.600	216.6 Da LogP 2.14 TPSA 66.8	✓ Ro5	✓ Clean	`CCOc1cc(C(=O)O)cc(Cl)c1O`
ZINC36923853 ZINC	0.600	201.3 Da LogP 1.50 TPSA 57.6	✓ Ro5	✓ Clean	`CCCCC(=O)N(C)CCCC(=O)O`
ZINC6095865 ZINC	0.593	267.1 Da LogP 3.93 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(c1ccccc1)c1cc(Cl)c(O)c(Cl)c1`
ZINC100009533 ZINC	0.591	226.2 Da LogP 3.80 TPSA 62.0	✓ Ro5	Alert	`O=C(O)c1ccc(/N=N\c2ccccc2)cc1`
ZINC12956625 ZINC	0.591	226.2 Da LogP 3.80 TPSA 62.0	✓ Ro5	Alert	`O=C(O)c1ccc(N=Nc2ccccc2)cc1`
ZINC1601737 ZINC	0.591	213.2 Da LogP 3.13 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Nc2ccccc2)cc1`
ZINC1689689 ZINC	0.591	228.3 Da LogP 2.82 TPSA 61.4	✓ Ro5	✓ Clean	`O=C(O)c1ccc(NNc2ccccc2)cc1`
ZINC1697492 ZINC	0.591	212.2 Da LogP 2.98 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Cc2ccccc2)cc1`
ZINC169818652 ZINC	0.591	380.5 Da LogP 2.76 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1`
ZINC33759110 ZINC	0.591	224.3 Da LogP 3.56 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(/C=C/c2ccccc2)cc1`
ZINC346053 ZINC	0.591	289.3 Da LogP 4.85 TPSA 40.5	✓ Ro5	✓ Clean	`O=C(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1`
ZINC396612 ZINC	0.591	230.3 Da LogP 3.54 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Sc2ccccc2)cc1`
ZINC4299335 ZINC	0.591	222.2 Da LogP 2.78 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C#Cc2ccccc2)cc1`
ZINC4403618 ZINC	0.591	226.2 Da LogP 3.80 TPSA 62.0	✓ Ro5	Alert	`O=C(O)c1ccc(/N=N/c2ccccc2)cc1`
ZINC4802802 ZINC	0.591	288.3 Da LogP 4.57 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(c2ccccc2)c2ccccc2)cc1`
ZINC5538754 ZINC	0.591	304.3 Da LogP 3.67 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1`
ZINC60939 ZINC	0.591	214.2 Da LogP 3.18 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Oc2ccccc2)cc1`

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 A0A0H3GV49

Pathways

KEGG R00052 BioCyc CHLORIDE-PEROXIDASE-RXN