KpATCC43816 Protein target profile

3-oxoacyl-[acyl-carrier-] synthase III family protein

Accession: VK055_1376

Gene: AIK79999.1 fabH 3D evidence: AlphaFold DB model + ColabFold model Metabolism 1 reaction UniProt A0A0H3GRH3

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Length 317

Pocket druggability (P2Rank · AlphaFold DB model) 0.84

Metabolic reactions 1

Chokepoint No

Direct ligand evidence 0 87 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

Central metabolic position More central than 92.4% of genes in this genome. 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. Core gene across strains Marked as conserved by both pan-genome tools: Roary and CoreCruncher. 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: 3.9% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): Y
DEG identity (%): 90.221 Higher values support similarity to known essential genes.
DEG E-value: 0.0 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT: 98.47 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) 0.84

Structure A0A0H3GRH3

Pocket Pocket 1

Druggability (FPocket) 0.217

Structure A0A0H3GRH3

Pocket Pocket 2

ColabFold model

P2Rank 0.85 · Pocket 1

FPocket 0.737 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 185 / 4744 genomes with a hit

Prevalence 3.9%

Metabolic context

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

Explore metabolic network

Metabolic context: more central than 92.4% of genes in this genome, no human homolog detected.

Relative network centrality 92.4% more central than 92.4% of genes in this genome

Chokepoint Not a chokepoint

Imported from KpATCC43816.sbml · 2026-07-09

Sequence

Primary amino-acid sequence viewer.

MYTKIIGTGSYLPEQVRTNADLEKMVETSDEWIVTRTGIRERRIAAAHETVATMGFEAAKQALAMAGVSAEQIGLIIVATTSGTHAFPSSACQIQSMLGVKGCPAFDVAAACAGFTYALSVADQYVKNGAVDYALVVGADVLARTCDPADRGTIIIFGDGAGAVVLGASEEPGIISTHLHADGSYGELLTLPNADRVDPENPIYLTMAGNEVFKVAVTELAHIVDETLAANNLERSALDWLVPHQANLRIISATAKKLGMSMDNVVVTLDRHGNTSAASVPCALDEAVRDGRIQRGQLILLEAFGGGFTWGSALVRF

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Subcellular localization

Localization: Cytoplasmic

Gene Ontology (GO)

GO:0004315 Catalysis of the reaction: acyl-[acyl-carrier protein] + malonyl-[acyl-carrier protein] = 3-oxoacyl-[acyl-carrier protein] + CO2 + [acyl-carrier protein].
GO:0006633 The chemical reactions and pathways resulting in the formation of a fatty acid, any of the aliphatic monocarboxylic acids that can be liberated by hydrolysis from naturally occurring fats and oils. Fatty acids are predominantly straight-chain acids of 4 to 24 carbon atoms, which may be saturated or unsaturated; branched fatty acids and hydroxy fatty acids also occur, and very long chain acids of over 30 carbons are found in waxes.
GO:0016746 Catalysis of the transfer of an acyl group from one compound (donor) to another (acceptor).

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

14 records

Show feature table

Start	End	DB	Term	Name
1	317	Gene3D	G3DSA:3.40.47.10	-
1	317	InterPro	IPR016039	Thiolase-like
1	317	Hamap	MF_01815	Beta-ketoacyl-[acyl-carrier-protein] synthase III [fabH].
1	317	InterPro	IPR004655	Beta-ketoacyl-[acyl-carrier-protein] synthase III
1	317	FunFam	G3DSA:3.40.47.10:FF:000004	3-oxoacyl-[acyl-carrier-protein] synthase 3
2	316	PANTHER	PTHR43091	3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE
2	315	CDD	cd00830	KAS_III
228	316	Pfam	PF08541	3-Oxoacyl-[acyl-carrier-protein (ACP)] synthase III C terminal
228	316	InterPro	IPR013747	Beta-ketoacyl-[acyl-carrier-protein] synthase III, C-terminal
3	317	SUPERFAMILY	SSF53901	Thiolase-like
3	317	InterPro	IPR016039	Thiolase-like
106	183	Pfam	PF08545	3-Oxoacyl-[acyl-carrier-protein (ACP)] synthase III
106	183	InterPro	IPR013751	Beta-ketoacyl-[acyl-carrier-protein] synthase III, N-terminal
1	317	NCBIfam	TIGR00747	beta-ketoacyl-ACP synthase III

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

0.84

Likely same site as FPocket 2 2.0 Å 23 shared residues 96% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.505

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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

0.217 Unusual size

Likely same site as P2Rank 1 2.0 Å 23 shared residues 96% of smaller site

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Surrounding area

Residue sets

UniProt: Active site:112-112

UniProt: Active site:244-244

UniProt: Active site:274-274

Binding pockets · P2Rank

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

Pocket 1 P2Rank #1

0.85

Likely same site as FPocket 1 0.9 Å 21 shared residues 100% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.391

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Surrounding area

Pocket 3 P2Rank #3

0.028

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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_A0A0H3GRH3	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_1376	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.

87 records

Chemistry signal

Structural and bioactivity evidence are both available for this target.

Direct evidence 0 same-protein records

Transferred evidence 37 records from similar proteins

Structural ligands 15 0 loaded crystals

Measured bioactivity 22 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

4LB PDB via homolog 325.8 Da · LogP 3.46 · TPSA 75.6 Open detail RCSB PDB

4VK PDB via homolog Detail RCSB PDB

4VL PDB via homolog Detail RCSB PDB

4VM PDB via homolog Detail RCSB PDB

4VN 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
4LB RCSB PDB	4Z8D	P0A6R0	325.8 Da LogP 3.46 TPSA 75.6	✓ Ro5	✓ Clean	`c1ccc(c(c1)COC(=O)NCC2CCC(CC2)C(=O)O)Cl`
4VK RCSB PDB	5BNM	P0A6R0	353.4 Da LogP 3.32 TPSA 66.4	✓ Ro5	✓ Clean	`c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)c3cccc(c3)CO`
4VL RCSB PDB	5BNR	P0A6R0	330.4 Da LogP 2.68 TPSA 73.7	✓ Ro5	✓ Clean	`c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)F`
4VM RCSB PDB	5BNS	P0A6R0	470.5 Da LogP 4.46 TPSA 78.4	✓ Ro5	✓ Clean	`c1cc2cc(ccc2nc1)CNC(=O)C3CCN(CC3)c4ccc(cn4)c5cc…`
4VN RCSB PDB	5BQS	C1CIR8	346.8 Da LogP 3.20 TPSA 73.7	✓ Ro5	✓ Clean	`c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)Cl`
669 RCSB PDB	1MZS	P0A6R0	450.3 Da LogP 5.87 TPSA 88.8	1 viol.	✓ Clean	`c1cc(c(c(c1)Cl)COc2ccc3c(c2)cc(n3CCCCCC(=O)O)C(…`
B82 RCSB PDB	3IL5	Q820T1	455.3 Da LogP 3.43 TPSA 103.8	✓ Ro5	✓ Clean	`CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc2ccccc2C(=O)O`
B83 RCSB PDB	3IL6	Q820T1	444.5 Da LogP 5.91 TPSA 78.9	1 viol.	✓ Clean	`C[C@@H]1C[C@@H](CN(C1)c2ccc(cc2Oc3ccccc3)C(=O)N…`
CO8 RCSB PDB	5V0P	Q9KLJ3	893.7 Da LogP 1.03 TPSA 363.6	3 viol.	✓ Clean	`CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P…`
MEE RCSB PDB	2EFT	P0A6R0	48.1 Da LogP 0.55 TPSA 0.0	✓ Ro5	✓ Clean	`CS`
MLC RCSB PDB	1HNJ	P0A6R0	853.6 Da LogP -1.86 TPSA 400.9	3 viol.	✓ Clean	`CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]…`
MLI RCSB PDB	4X9K	Q9KLJ3	102.0 Da LogP -3.12 TPSA 80.3	✓ Ro5	✓ Clean	`C(C(=O)[O-])C(=O)[O-]`
OAX RCSB PDB	6KVS	A7X0K2	266.7 Da LogP 1.90 TPSA 49.4	✓ Ro5	✓ Clean	`c1cc(ccc1C(=O)NCN(CC2CC2)C=O)Cl`
OCA RCSB PDB	5KP2	Q9KLJ3	144.2 Da LogP 2.43 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCC(=O)O`
UT7 RCSB PDB	6X7R	P0A6R0	751.5 Da LogP -2.60 TPSA 366.8	3 viol.	✓ Clean	`CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([…`

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
CHEMBL370931 ChEMBL	Q820T1	8.40 ~4.0 nM	425.4 Da LogP 5.80 TPSA 95.9	1 viol.	✓ Clean	`O=C(Nc1cccc(O)c1C(=O)O)c1ccc(-c2ccccc2)c(Oc2ccc…`
CHEMBL499343 ChEMBL	Q820T1	8.40 ~4.0 nM	425.4 Da LogP 5.80 TPSA 95.9	1 viol.	✓ Clean	`O=C(Nc1ccccc1C(=O)O)c1cc(O)c(-c2ccccc2)c(Oc2ccc…`
CHEMBL180466 ChEMBL	Q820T1	7.55 ~28.2 nM	487.5 Da LogP 5.50 TPSA 109.8	1 viol.	✓ Clean	`CS(=O)(=O)c1ccc(-c2ccc(C(=O)Nc3ccccc3C(=O)O)cc2…`
CHEMBL175848 ChEMBL	Q820T1	7.25 ~56.2 nM	409.4 Da LogP 6.10 TPSA 75.6	1 viol.	✓ Clean	`O=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccccc2)c(Oc2ccccc2…`
CHEMBL191827 ChEMBL	Q820T1	7.21 ~61.7 nM	428.2 Da LogP 4.90 TPSA 95.9	✓ Ro5	✓ Clean	`O=C(Nc1cccc(O)c1C(=O)O)c1ccc(Br)c(Oc2ccccc2)c1`
CHEMBL499342 ChEMBL	Q820T1	7.21 ~61.7 nM	428.2 Da LogP 4.90 TPSA 95.9	✓ Ro5	✓ Clean	`O=C(Nc1ccccc1C(=O)O)c1cc(O)c(Br)c(Oc2ccccc2)c1`
CHEMBL179596 ChEMBL	Q820T1	7.02 ~95.5 nM	477.4 Da LogP 7.12 TPSA 75.6	1 viol.	✓ Clean	`O=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)c…`
CHEMBL179595 ChEMBL	Q820T1	6.96 ~109.6 nM	410.4 Da LogP 5.49 TPSA 88.5	1 viol.	✓ Clean	`O=C(Nc1ccccc1C(=O)O)c1ccc(-c2cccnc2)c(Oc2ccccc2…`
CHEMBL180271 ChEMBL	Q820T1	6.80 ~158.5 nM	445.4 Da LogP 6.37 TPSA 75.6	1 viol.	✓ Clean	`O=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccc(F)cc2F)c(Oc2cc…`
CHEMBL195658 ChEMBL	Q820T1	6.80 ~158.5 nM	423.5 Da LogP 6.40 TPSA 75.6	1 viol.	✓ Clean	`Cc1ccc(-c2ccc(C(=O)Nc3ccccc3C(=O)O)cc2Oc2ccccc2…`
CHEMBL179573 ChEMBL	Q820T1	6.66 ~218.8 nM	453.5 Da LogP 6.50 TPSA 84.9	1 viol.	✓ Clean	`CCOc1ccc(-c2ccc(C(=O)Nc3ccccc3C(=O)O)cc2Oc2cccc…`
CHEMBL369324 ChEMBL	Q820T1	6.62 ~239.9 nM	441.5 Da LogP 6.54 TPSA 75.6	1 viol.	✓ Clean	`Cc1cc(-c2ccc(C(=O)Nc3ccccc3C(=O)O)cc2Oc2ccccc2)…`
CHEMBL359673 ChEMBL	Q820T1	6.60 ~251.2 nM	457.9 Da LogP 7.06 TPSA 75.6	1 viol.	✓ Clean	`Cc1cc(-c2ccc(C(=O)Nc3ccccc3C(=O)O)cc2Oc2ccccc2)…`
CHEMBL361554 ChEMBL	Q820T1	6.57 ~269.2 nM	444.5 Da LogP 5.91 TPSA 78.9	1 viol.	✓ Clean	`CC1CC(C)CN(c2ccc(C(=O)Nc3ccccc3C(=O)O)cc2Oc2ccc…`
CHEMBL179235 ChEMBL	Q820T1	6.54 ~288.4 nM	416.5 Da LogP 5.42 TPSA 78.9	1 viol.	✓ Clean	`O=C(Nc1ccccc1C(=O)O)c1ccc(N2CCCCC2)c(Oc2ccccc2)…`
CHEMBL426597 ChEMBL	Q820T1	6.48 ~331.1 nM	445.4 Da LogP 6.37 TPSA 75.6	1 viol.	✓ Clean	`O=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccc(F)c(F)c2)c(Oc2…`
CHEMBL178754 ChEMBL	Q820T1	6.39 ~407.4 nM	425.4 Da LogP 5.80 TPSA 95.9	1 viol.	✓ Clean	`O=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccc(O)cc2)c(Oc2ccc…`
CHEMBL193840 ChEMBL	Q820T1	6.39 ~407.4 nM	349.3 Da LogP 4.14 TPSA 95.9	✓ Ro5	✓ Clean	`O=C(Nc1cccc(O)c1C(=O)O)c1cccc(Oc2ccccc2)c1`
CHEMBL500928 ChEMBL	Q820T1	6.39 ~407.4 nM	349.3 Da LogP 4.14 TPSA 95.9	✓ Ro5	✓ Clean	`O=C(Nc1ccccc1C(=O)O)c1cc(O)cc(Oc2ccccc2)c1`
CHEMBL179678 ChEMBL	Q820T1	6.33 ~467.7 nM	493.4 Da LogP 7.00 TPSA 84.9	1 viol.	✓ Clean	`O=C(Nc1ccccc1C(=O)O)c1ccc(-c2cccc(OC(F)(F)F)c2)…`
CHEMBL179541 ChEMBL	Q820T1	6.24 ~575.4 nM	461.9 Da LogP 6.89 TPSA 75.6	1 viol.	✓ Clean	`O=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccc(F)c(Cl)c2)c(Oc…`
CHEMBL179912 ChEMBL	Q820T1	6.10 ~794.3 nM	451.5 Da LogP 7.22 TPSA 75.6	1 viol.	✓ Clean	`CC(C)c1cccc(-c2ccc(C(=O)Nc3ccccc3C(=O)O)cc2Oc2c…`

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
ZINC1529498 ZINC	1.000	200.3 Da LogP 3.99 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)O`
ZINC1530417 ZINC	1.000	228.4 Da LogP 4.77 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)O`
ZINC1628119 ZINC	1.000	214.3 Da LogP 4.38 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(=O)O`
ZINC138457918 ZINC	0.850	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCC(=O)O`
ZINC138458029 ZINC	0.850	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCC(=O)O`
ZINC144395054 ZINC	0.850	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCCC(=O)O`
ZINC14619628 ZINC	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCCCCC(=O)O`
ZINC196749828 ZINC	0.850	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCC(=O)O`
ZINC2113934076 ZINC	0.850	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCCC(=O)O`
ZINC2113934082 ZINC	0.850	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCCCC(=O)O`
ZINC2113934083 ZINC	0.850	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CCCCC(=O)O`
ZINC2243670 ZINC	0.850	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCC(=O)O`
ZINC2569203 ZINC	0.850	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCC(=O)O`
ZINC4798470 ZINC	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCCCC(=O)O`
ZINC5973005 ZINC	0.850	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCC(=O)O`
ZINC71418182 ZINC	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCC(=O)CCCCC(=O)O`
ZINC79244776 ZINC	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCCCCC(=O)O`
ZINC86037082 ZINC	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CCCCCC(=O)O`
ZINC86037089 ZINC	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCCCCCC(=O)O`
ZINC86039283 ZINC	0.850	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCCCC(=O)O`
ZINC3160730 ZINC	0.810	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCC(=O)O`
ZINC4582907 ZINC	0.810	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCC(=O)O`
ZINC4727003 ZINC	0.810	312.4 Da LogP 4.69 TPSA 71.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCC(=O)CCCCCCCC(=O)O`
ZINC86037074 ZINC	0.810	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)CCCC(=O)O`
ZINC2378801 ZINC	0.800	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCC(=O)O`
ZINC2113934081 ZINC	0.762	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCCCCCCC(=O)O`
ZINC2243668 ZINC	0.762	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCCC(=O)O`
ZINC2378799 ZINC	0.762	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCC(=O)O`
ZINC33820423 ZINC	0.762	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCCCCC(=O)O`
ZINC1230405 ZINC	0.760	425.3 Da LogP 4.04 TPSA 66.5	✓ Ro5	✓ Clean	`CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C)ccc1Br`
ZINC2387442 ZINC	0.739	246.4 Da LogP 4.34 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCSCCCCC(=O)O`
ZINC31778284 ZINC	0.739	310.4 Da LogP 4.47 TPSA 71.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)/C=C\C(=O)CCCCCCCC(=O)O`
ZINC5540108 ZINC	0.739	310.4 Da LogP 4.47 TPSA 71.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)/C=C/C(=O)CCCCCCCC(=O)O`
ZINC64633397 ZINC	0.739	226.4 Da LogP 4.55 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCC/C=C\CCCCCC(=O)O`
ZINC793020 ZINC	0.735	411.3 Da LogP 3.73 TPSA 66.5	✓ Ro5	✓ Clean	`CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2)ccc1Br`
ZINC59545317 ZINC	0.727	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCC(=O)O`
ZINC59545320 ZINC	0.727	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(=O)CCC(=O)O`
ZINC59545336 ZINC	0.727	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCC(=O)O`
ZINC102262905 ZINC	0.721	291.3 Da LogP 2.80 TPSA 75.6	✓ Ro5	✓ Clean	`O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)OCc1ccccc1`
ZINC252504457 ZINC	0.721	291.3 Da LogP 2.80 TPSA 75.6	✓ Ro5	✓ Clean	`O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)OCc1ccccc1`
ZINC5947040 ZINC	0.721	291.3 Da LogP 2.80 TPSA 75.6	✓ Ro5	✓ Clean	`O=C(NCC1CCC(C(=O)O)CC1)OCc1ccccc1`
ZINC111923985 ZINC	0.708	258.4 Da LogP 4.13 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCC[C@H](O)CCCCC(=O)O`
ZINC111923988 ZINC	0.708	258.4 Da LogP 4.13 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCC[C@@H](O)CCCCC(=O)O`
ZINC117404098 ZINC	0.708	258.4 Da LogP 4.13 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCC[C@H](O)CCCCCCC(=O)O`
ZINC13508826 ZINC	0.708	272.4 Da LogP 4.52 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCC[C@H](O)CCCCCCCCC(=O)O`
ZINC14454564 ZINC	0.708	286.5 Da LogP 4.91 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCC[C@H](O)CCCCCCCCCC(=O)O`
ZINC14454647 ZINC	0.708	272.4 Da LogP 4.52 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCC[C@@H](O)CCCCCCCCCC(=O)O`
ZINC14454648 ZINC	0.708	272.4 Da LogP 4.52 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCC[C@H](O)CCCCCCCCCC(=O)O`
ZINC14510351 ZINC	0.708	244.4 Da LogP 3.74 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCC[C@@H](O)CCCCCCC(=O)O`
ZINC85858219 ZINC	0.708	272.4 Da LogP 4.52 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCC[C@H](O)CCCCC(=O)O`

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.

3-oxoacyl-[acyl-carrier-] synthase III family protein

Promising target candidate with multiple supporting evidence streams.

Main supporting evidence

Risks to review

Evidence coverage

Prioritization evidence

Off-target risk

Essentiality

Structure confidence

Binding-site evidence

Metabolic context

Sequence

Functional annotations

Subcellular localization

Gene Ontology (GO)

Sequence domains and features

3D structure

Binding pockets · P2Rank

Binding pockets · FPocket

Binding pockets · P2Rank

Binding pockets · FPocket

Structural evidence

Ligand evidence

Cross-references

Sequence

Chemistry

Pathways