KpKP13 Protein target profile

putative acid phosphatase

Accession: KP13_01195

Gene: AHE46586.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A6A8EMQ8

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Length 443

Pocket druggability (P2Rank · AlphaFold DB model) 0.868

Direct ligand evidence 0 62 total records

Functional annotation 0 EC 2 GO

Target summary

Target candidate with partial support; inspect missing evidence before prioritizing.

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

Main supporting evidence

Risks to review

Evidence gaps

No metabolic context No SBML/network-derived reaction evidence is loaded for this protein.

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 (%): 31.452 Lower values reduce human off-target concern.
Human E-value: 7.2e-06
Gut microbiome similarity: 0.0% 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: 92.82 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) 0.868

Structure A0A6A8EMQ8

Pocket Pocket 1

Druggability (FPocket) 0.167

Structure A0A6A8EMQ8

Pocket Pocket 1

ColabFold model

P2Rank 0.869 · Pocket 1

FPocket 0.472 · Pocket 1

Core conservation Accessory gene

Roary accessory

CoreCruncher accessory

Gut microbiome 0 / 4744 genomes with a hit

Prevalence 0.0%

Sequence

Primary amino-acid sequence viewer.

MAHGIISDRRIMMKAYTLSLIALALTSSLAQAATADLVLDKVVTLNRHGIRPQMDTAKIQAMSPETFPHFQGKDGELTMHGYAAVTRMGDYLRDYLQQRQFLKKDSCLNADDIFVRTSAKQRTRMTAYALIDTLFPGCGVKVSSPASKKDTLFKPIDNGVAPLDVARASNSVLQKMGGSLEAAKQRYAGDIAAMQKIVDPNCKGDQCTYSSGEWSIKNLKDRNIELEGPLFWGNELGETFRLQYAEGLPLEQVAFGHVKNTDDLTRLNKLHQIKFDLILHDPYIAARAGSQLLSQILYTLEKGSGFHDPNARPEIVASAPDARMVMYFGHDSNLTPLQTLLNVSWHLKGYPKDDTPPGSTLMFERYRDSKTHQTYIGLTFMTQSLDQMRRLEPLNVKNPPLQQKLNLHCKNSPDGWLCPIDEFAAQINSRLDKTAMIAQNYAE

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Subcellular localization

Localization: Periplasmic

Gene Ontology (GO)

GO:0030288 The region between the inner (cytoplasmic or plasma) membrane and outer membrane of organisms with two membranes such as Gram negative bacteria. These periplasmic spaces are relatively thick and contain a thin peptidoglycan layer (PGL), also referred to as a thin cell wall.
GO:0050308 Catalysis of the reaction: sugar phosphate + H2O = sugar + phosphate.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

19 records

Show feature table

Start	End	DB	Term	Name
27	32	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
38	425	Gene3D	G3DSA:3.40.50.1240	-
38	425	InterPro	IPR029033	Histidine phosphatase superfamily
39	376	CDD	cd07061	HP_HAP_like
39	376	InterPro	IPR000560	Histidine phosphatase superfamily, clade-2
33	443	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
69	380	Pfam	PF00328	Histidine phosphatase superfamily (branch 2)
69	380	InterPro	IPR000560	Histidine phosphatase superfamily, clade-2
36	431	SUPERFAMILY	SSF53254	Phosphoglycerate mutase-like
36	431	InterPro	IPR029033	Histidine phosphatase superfamily
15	26	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
1	35	SignalP_EUK	SignalP-noTM	SignalP-noTM
1	32	SignalP_GRAM_NEGATIVE	SignalP-noTM	SignalP-noTM
29	424	PANTHER	PTHR11567	ACID PHOSPHATASE-RELATED
1	14	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
1	32	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
163	279	Gene3D	G3DSA:3.40.50.1240	-
163	279	InterPro	IPR029033	Histidine phosphatase superfamily
1	32	Phobius	SIGNAL_PEPTIDE	Signal peptide region

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

0.868

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Surrounding area

Pocket 2 P2Rank #2

0.014

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Surrounding area

Pocket 3 P2Rank #3

0.007

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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

0.869

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Surrounding area

Pocket 2 P2Rank #2

0.043

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Surrounding area

Pocket 3 P2Rank #3

0.014

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Surrounding area

Pocket 4 P2Rank #4

0.007

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Surrounding area

Pocket 5 P2Rank #5

0.004

Likely same site as FPocket 1 7.9 Å 5 shared residues 56% of smaller site

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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_A0A6A8EMQ8	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold KP13_01195	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.

62 records

Chemistry signal

Structural and bioactivity evidence are both available for this target.

Direct evidence 0 same-protein records

Transferred evidence 12 records from similar proteins

Structural ligands 6 0 loaded crystals

Measured bioactivity 6 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

IHP PDB via homolog 660.0 Da · LogP -3.13 · TPSA 400.6 Open detail RCSB PDB

IHS PDB via homolog Detail RCSB PDB

P15 PDB via homolog Detail RCSB PDB

TLA PDB via homolog Detail RCSB PDB

TOE 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
IHP RCSB PDB	1DKP	P07102	660.0 Da LogP -3.13 TPSA 400.6	3 viol.	✓ Clean	`C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O…`
IHS RCSB PDB	4ARO	H9TUK5	660.5 Da LogP -4.87 TPSA 381.6	3 viol.	✓ Clean	`C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)…`
P15 RCSB PDB	4ARV	H9TUK6	296.4 Da LogP -0.29 TPSA 75.6	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCO`
TLA RCSB PDB	4ARU	H9TUK5	150.1 Da LogP -2.12 TPSA 115.1	✓ Ro5	✓ Clean	`[C@@H]([C@H](C(=O)O)O)(C(=O)O)O`
TOE RCSB PDB	4ARV	H9TUK6	164.2 Da LogP -0.34 TPSA 47.9	✓ Ro5	✓ Clean	`COCCOCCOCCO`
WO4 RCSB PDB	1DKO	P07102	247.8 Da LogP -2.62 TPSA 80.3	✓ Ro5	✓ Clean	`[O-][W](=O)(=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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
CHEMBL498632 ChEMBL	P15309	8.40 ~4.0 nM	277.3 Da LogP 2.65 TPSA 69.6	✓ Ro5	✓ Clean	`O=P(O)(O)C(NCc1ccccc1)c1ccccc1`
CHEMBL454997 ChEMBL	P15309	8.30 ~5.0 nM	313.7 Da LogP 3.07 TPSA 69.6	✓ Ro5	✓ Clean	`Cl.O=P(O)(O)[C@@H](NCc1ccccc1)c1ccccc1`
CHEMBL68858 ChEMBL	P15309	8.07 ~8.5 nM	327.3 Da LogP 3.81 TPSA 69.6	✓ Ro5	✓ Clean	`O=P(O)(O)C(NCc1ccccc1)c1cccc2ccccc12`
CHEMBL507996 ChEMBL	P15309	7.75 ~17.8 nM	357.8 Da LogP 3.64 TPSA 78.8	✓ Ro5	✓ Clean	`COc1ccc([C@@H](N[C@H](C)c2ccccc2)P(=O)(O)O)cc1.…`
CHEMBL501717 ChEMBL	P15309	7.59 ~25.7 nM	327.7 Da LogP 3.64 TPSA 69.6	✓ Ro5	✓ Clean	`C[C@@H](N[C@H](c1ccccc1)P(=O)(O)O)c1ccccc1.Cl`
CHEMBL453954 ChEMBL	P15309	6.70 ~199.5 nM	313.7 Da LogP 3.07 TPSA 69.6	✓ Ro5	✓ Clean	`Cl.O=P(O)(O)[C@H](NCc1ccccc1)c1ccccc1`

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
ZINC1580161 ZINC	1.000	208.3 Da LogP -0.33 TPSA 57.2	✓ Ro5	✓ Clean	`COCCOCCOCCOCCO`
ZINC16052118 ZINC	1.000	340.4 Da LogP -0.28 TPSA 84.8	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCO`
ZINC16052257 ZINC	1.000	384.5 Da LogP -0.26 TPSA 94.1	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC34317654 ZINC	1.000	472.6 Da LogP -0.23 TPSA 112.5	1 viol.	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC44076059 ZINC	1.000	428.5 Da LogP -0.24 TPSA 103.3	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC5210101 ZINC	1.000	252.3 Da LogP -0.31 TPSA 66.4	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCO`
ZINC5997860 ZINC	1.000	296.4 Da LogP -0.29 TPSA 75.6	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCO`
ZINC65090417 ZINC	0.794	311.7 Da LogP 3.31 TPSA 69.6	✓ Ro5	✓ Clean	`O=P(O)(O)[C@@H](NCc1ccccc1)c1ccc(Cl)cc1`
ZINC65090418 ZINC	0.794	311.7 Da LogP 3.31 TPSA 69.6	✓ Ro5	✓ Clean	`O=P(O)(O)[C@H](NCc1ccccc1)c1ccc(Cl)cc1`
ZINC20028813 ZINC	0.735	291.3 Da LogP 2.70 TPSA 69.6	✓ Ro5	✓ Clean	`O=[P@](O)(CO)[C@@H](NCc1ccccc1)c1ccccc1`
ZINC20028817 ZINC	0.735	291.3 Da LogP 2.70 TPSA 69.6	✓ Ro5	✓ Clean	`O=[P@](O)(CO)[C@H](NCc1ccccc1)c1ccccc1`
ZINC12997458 ZINC	0.730	302.3 Da LogP 2.52 TPSA 93.4	✓ Ro5	✓ Clean	`N#Cc1ccc([C@H](NCc2ccccc2)P(=O)(O)O)cc1`
ZINC12997459 ZINC	0.730	302.3 Da LogP 2.52 TPSA 93.4	✓ Ro5	✓ Clean	`N#Cc1ccc([C@@H](NCc2ccccc2)P(=O)(O)O)cc1`
ZINC12997477 ZINC	0.730	323.4 Da LogP 3.37 TPSA 69.6	✓ Ro5	✓ Clean	`CSc1ccc([C@@H](NCc2ccccc2)P(=O)(O)O)cc1`
ZINC12997480 ZINC	0.730	323.4 Da LogP 3.37 TPSA 69.6	✓ Ro5	✓ Clean	`CSc1ccc([C@H](NCc2ccccc2)P(=O)(O)O)cc1`
ZINC13008430 ZINC	0.730	334.3 Da LogP 2.61 TPSA 98.7	✓ Ro5	✓ Clean	`CC(=O)Nc1ccc([C@@H](NCc2ccccc2)P(=O)(O)O)cc1`
ZINC13008431 ZINC	0.730	334.3 Da LogP 2.61 TPSA 98.7	✓ Ro5	✓ Clean	`CC(=O)Nc1ccc([C@H](NCc2ccccc2)P(=O)(O)O)cc1`
ZINC575419714 ZINC	0.727	312.4 Da LogP 0.42 TPSA 66.4	✓ Ro5	✓ Clean	`COCCOCCOCCSCCOCCOCCO`
ZINC13556870 ZINC	0.722	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H…`
ZINC71789368 ZINC	0.722	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@H]…`
ZINC71792243 ZINC	0.722	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H…`
ZINC12949530 ZINC	0.711	322.3 Da LogP 2.56 TPSA 112.7	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc([C@H](NCc2ccccc2)P(=O)(O)O)cc1`
ZINC12949533 ZINC	0.711	322.3 Da LogP 2.56 TPSA 112.7	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc([C@@H](NCc2ccccc2)P(=O)(O)O)c…`
ZINC100015956 ZINC	0.706	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H]…`
ZINC100015959 ZINC	0.706	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H]…`
ZINC100016166 ZINC	0.706	340.1 Da LogP -3.60 TPSA 214.4	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O…`
ZINC100590871 ZINC	0.706	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@H](…`
ZINC1501016356 ZINC	0.706	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)OC1C(O)[C@H](OP(=O)(O)O)C(O)[C@H](OP(=…`
ZINC115163232 ZINC	0.700	222.3 Da LogP 0.07 TPSA 57.2	✓ Ro5	✓ Clean	`COCCOCCOCCOCCCO`
ZINC258837490 ZINC	0.700	354.4 Da LogP 0.11 TPSA 84.8	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCCO`
ZINC20566948 ZINC	0.694	365.4 Da LogP 4.99 TPSA 49.3	✓ Ro5	✓ Clean	`O=[P@](O)(CCc1ccccc1)[C@@H](NCc1ccccc1)c1ccccc1`
ZINC20566952 ZINC	0.694	365.4 Da LogP 4.99 TPSA 49.3	✓ Ro5	✓ Clean	`O=[P@](O)(CCc1ccccc1)[C@H](NCc1ccccc1)c1ccccc1`
ZINC12359024 ZINC	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O`
ZINC13533920 ZINC	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC1532740 ZINC	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O`
ZINC1549593 ZINC	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC2013424 ZINC	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O`
ZINC3581021 ZINC	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC3860635 ZINC	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O`
ZINC5783661 ZINC	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O`
ZINC6072527 ZINC	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC12501520 ZINC	0.688	458.5 Da LogP -0.88 TPSA 123.5	1 viol.	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC3874716 ZINC	0.688	414.5 Da LogP -0.90 TPSA 114.3	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC4283769 ZINC	0.688	238.3 Da LogP -0.96 TPSA 77.4	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCO`
ZINC4521548 ZINC	0.688	282.3 Da LogP -0.95 TPSA 86.6	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCO`
ZINC4530388 ZINC	0.688	266.3 Da LogP 0.35 TPSA 55.4	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOC`
ZINC5178829 ZINC	0.688	326.4 Da LogP -0.93 TPSA 95.8	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCO`
ZINC5178830 ZINC	0.688	370.4 Da LogP -0.91 TPSA 105.1	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC5701172 ZINC	0.688	310.4 Da LogP 0.36 TPSA 64.6	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOC`
ZINC5997861 ZINC	0.688	398.5 Da LogP 0.40 TPSA 83.1	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOC`

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 A0A6A8EMQ8

Chemistry

ChEMBL CHEMBL498632 ChEMBL CHEMBL454997 ChEMBL CHEMBL68858 ChEMBL CHEMBL507996 ChEMBL CHEMBL501717 ChEMBL CHEMBL453954

putative acid phosphatase

Target candidate with partial support; inspect missing evidence before prioritizing.

Main supporting evidence

Risks to review

Evidence gaps

Prioritization evidence

Off-target risk

Essentiality

Structure confidence

Binding-site evidence

Sequence

Functional annotations

Subcellular localization

Gene Ontology (GO)

Sequence domains and features

3D structure

Binding pockets · P2Rank

Binding pockets · P2Rank

Binding pockets · FPocket

Structural evidence

Ligand evidence

Cross-references

Sequence

Chemistry