KpATCC43816 Protein target profile

O-succinylbenzoate-CoA ligase

Accession: VK055_4857

Gene: AIK83384.1 menE 3D evidence: AlphaFold DB model + ColabFold model Metabolism 1 reaction UniProt A0A0H3GT05

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Length 458

Pocket druggability (P2Rank · AlphaFold DB model) 0.952

Metabolic reactions 1

Chokepoint Yes

Direct ligand evidence 0 62 total records

Functional annotation 0 EC 3 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

Metabolic chokepoint Catalyzes a reaction that is the only producer or consumer of a metabolite in the imported metabolic model. Central metabolic position More central than 94.4% of genes in this genome. 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. 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 (%): 30.469 Lower values reduce human off-target concern.
Human E-value: 2.57e-07
Gut microbiome similarity: 2.1% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): Y
DEG identity (%): 74.115 Higher values support similarity to known essential genes.
DEG E-value: 0.0 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT: 92.72 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) 0.952

Structure A0A0H3GT05

Pocket Pocket 1

Druggability (FPocket) 0.121

Structure A0A0H3GT05

Pocket Pocket 19

ColabFold model

P2Rank 0.924 · Pocket 1

FPocket 0.245 · Pocket 14

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 98 / 4744 genomes with a hit

Prevalence 2.1%

Metabolic context

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

Explore metabolic network

Attractive metabolic target: catalyzes a producing & consuming chokepoint reaction in Ubiquinone and other terpenoid-quinone biosynthesis, no isoenzyme backup detected, more central than 94.4% of genes in this genome.

Relative network centrality 94.4% more central than 94.4% of genes in this genome

Chokepoint Chokepoint gene

Imported from KpATCC43816.sbml · 2026-07-09

Sequence

Primary amino-acid sequence viewer.

MTFNDWPWRHWRQRRGEALALRLNNQPLTWRELCARVDALASGFAAQGVMEGQGVALRAYNQPETLLAWLALLQCGARVLPLNPQLPAVLLQELLPALTVQHQLVLNGDTLPGNLPALTLQAAEGACAVCWHGDRLVSMTLTSGSTGLPKAAVHSANAHLASAAGVLALMPFAAGDDWLLSLPLFHVSGQGIVWRWLLAGARLTVRDKQPLAQMLHGCTHASLVPTQLWRLLNDDAAVSLKAVLLGGASIPVELTERARKQGIRSFCGYGLTEFASTVCAKEADGAADVGEALPGREVKIVAGEIWLRASTMAAGYWRDGQLLSLTNNEGWFATRDRGALHNGRLTVVGRMDNLFFSGGEGIQPEEVERVILAHPQVQQVFIVPLDDAEYGQRPVAVVECDDGCELSALAAWSAERLARFQQPVRWLRLPETLKNGGIKISRRALCEWVRQQTHATVS

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Subcellular localization

Localization: Cytoplasmic

Gene Ontology (GO)

GO:0008756 Catalysis of the reaction: 2-succinylbenzoate + ATP + CoA = 2-succinylbenzoyl-CoA + AMP + diphosphate.
GO:0009234 The chemical reactions and pathways resulting in the formation of any of the menaquinones. Structurally, menaquinones consist of a methylated naphthoquinone ring structure and side chains composed of a variable number of unsaturated isoprenoid residues. Menaquinones that have vitamin K activity and are known as vitamin K2.
GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

15 records

Show feature table

Start	End	DB	Term	Name
366	429	Pfam	PF13193	AMP-binding enzyme C-terminal domain
366	429	InterPro	IPR025110	AMP-binding enzyme, C-terminal domain
351	454	Gene3D	G3DSA:3.30.300.30	-
351	454	InterPro	IPR045851	AMP-binding enzyme, C-terminal domain superfamily
12	455	PANTHER	PTHR43767	LONG-CHAIN-FATTY-ACID--COA LIGASE
135	449	CDD	cd17630	OSB_MenE-like
8	452	SUPERFAMILY	SSF56801	Acetyl-CoA synthetase-like
10	355	Pfam	PF00501	AMP-binding enzyme
10	355	InterPro	IPR000873	AMP-dependent synthetase/ligase domain
8	350	Gene3D	G3DSA:3.40.50.12780	-
8	350	InterPro	IPR042099	ANL, N-terminal domain
139	150	ProSitePatterns	PS00455	Putative AMP-binding domain signature.
139	150	InterPro	IPR020845	AMP-binding, conserved site
29	445	NCBIfam	TIGR01923	o-succinylbenzoate--CoA ligase
29	445	InterPro	IPR010192	2-succinylbenzoate--CoA ligase

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

0.952

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Surrounding area

Pocket 2 P2Rank #2

0.134

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Surrounding area

Pocket 3 P2Rank #3

0.073

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Surrounding area

Pocket 4 P2Rank #4

0.055

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Surrounding area

Pocket 5 P2Rank #5

0.053

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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

0.924

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Surrounding area

Pocket 2 P2Rank #2

0.341

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Surrounding area

Pocket 3 P2Rank #3

0.202

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Surrounding area

Pocket 4 P2Rank #4

0.198

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Surrounding area

Pocket 5 P2Rank #5

0.144

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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_A0A0H3GT05	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_4857	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 ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 12 records from similar proteins

Structural ligands 12 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

00A PDB via homolog 485.8 Da · LogP 0.66 · TPSA 192.1 Open detail RCSB PDB

01A PDB via homolog Detail RCSB PDB

174 PDB via homolog Detail RCSB PDB

34Z PDB via homolog Detail RCSB PDB

3BZ 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
00A RCSB PDB	3CW8	Q8GN86	485.8 Da LogP 0.66 TPSA 192.1	1 viol.	✓ Clean	`c1cc(ccc1C(=O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]…`
01A RCSB PDB	3CW9	Q8GN86	920.1 Da LogP 0.67 TPSA 363.6	3 viol.	✓ Clean	`CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]…`
174 RCSB PDB	1T5D	Q8GN86	156.6 Da LogP 2.04 TPSA 37.3	✓ Ro5	✓ Clean	`c1cc(ccc1C(=O)O)Cl`
34Z RCSB PDB	2QVY	Q8GN86	191.0 Da LogP 2.69 TPSA 37.3	✓ Ro5	✓ Clean	`c1cc(c(cc1C(=O)O)Cl)Cl`
3BZ RCSB PDB	2QVX	Q8GN86	156.6 Da LogP 2.04 TPSA 37.3	✓ Ro5	✓ Clean	`c1cc(cc(c1)Cl)C(=O)O`
4YB RCSB PDB	5C5H	P37353	550.5 Da LogP -1.23 TPSA 246.1	2 viol.	✓ Clean	`c1ccc(c(c1)C(=O)CCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]…`
ANP RCSB PDB	1V25	Q5SKN9	506.2 Da LogP -2.06 TPSA 281.9	3 viol.	✓ Clean	`c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…`
JSA RCSB PDB	5ZRN	P9WQ37	530.6 Da LogP 1.12 TPSA 194.9	2 viol.	✓ Clean	`CCCCCCCCCCC[C@H](NS(=O)(=O)OC[C@@H]1[C@H]([C@H]…`
KOY RCSB PDB	6NJ0	P37353	519.5 Da LogP 1.62 TPSA 182.9	2 viol.	✓ Clean	`c1ccc(c(c1)C(=O)CCc2cccc(c2)OC[C@@H]3[C@H]([C@H…`
MLI RCSB PDB	3R44	P9WQ37	102.0 Da LogP -3.12 TPSA 80.3	✓ Ro5	✓ Clean	`C(C(=O)[O-])C(=O)[O-]`
OSB RCSB PDB	5GTD	P23971	222.2 Da LogP 1.43 TPSA 91.7	✓ Ro5	✓ Clean	`c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O`
S0N RCSB PDB	5X8F	P23971	954.7 Da LogP -1.12 TPSA 430.0	3 viol.	✓ Clean	`CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[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).

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
ZINC1604722 ZINC	0.870	326.3 Da LogP 2.93 TPSA 108.7	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1C(=O)CCC(=O)c1ccccc1C(=O)O`
ZINC1665234 ZINC	0.850	260.7 Da LogP 3.27 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(=O)c2ccc(Cl)cc2)cc1`
ZINC168462 ZINC	0.850	232.7 Da LogP 3.71 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc(Cl)cc2)cc1`
ZINC2574061 ZINC	0.769	232.7 Da LogP 3.71 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1cccc(-c2cccc(Cl)c2)c1`
ZINC2386680 ZINC	0.739	248.7 Da LogP 3.83 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Oc2ccc(Cl)cc2)cc1`
ZINC2567514 ZINC	0.739	279.1 Da LogP 4.06 TPSA 34.1	✓ Ro5	Alert	`O=C(C(=O)c1cccc(Cl)c1)c1cccc(Cl)c1`
ZINC3200334 ZINC	0.739	264.7 Da LogP 4.19 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Sc2ccc(Cl)cc2)cc1`
ZINC50913005 ZINC	0.739	247.7 Da LogP 3.78 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Nc2ccc(Cl)cc2)cc1`
ZINC1599900 ZINC	0.720	244.7 Da LogP 3.41 TPSA 34.1	✓ Ro5	Alert	`O=C(C(=O)c1cccc(Cl)c1)c1ccccc1`
ZINC14967098 ZINC	0.714	403.4 Da LogP -3.64 TPSA 217.8	1 viol.	✓ Clean	`NCC(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc…`
ZINC218033334 ZINC	0.714	403.4 Da LogP -3.64 TPSA 217.8	1 viol.	✓ Clean	`NCC(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc…`
ZINC218033425 ZINC	0.714	403.4 Da LogP -3.64 TPSA 217.8	1 viol.	✓ Clean	`NCC(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc…`
ZINC218033503 ZINC	0.714	403.4 Da LogP -3.64 TPSA 217.8	1 viol.	✓ Clean	`NCC(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc…`
ZINC1599892 ZINC	0.708	251.1 Da LogP 4.22 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(c1cccc(Cl)c1)c1cccc(Cl)c1`
ZINC1601965 ZINC	0.708	200.6 Da LogP 1.74 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Cl)c(C(=O)O)c1`
ZINC1665257 ZINC	0.708	274.7 Da LogP 4.36 TPSA 37.3	✓ Ro5	✓ Clean	`CC(C)(c1ccc(Cl)cc1)c1ccc(C(=O)O)cc1`
ZINC105316 ZINC	0.692	216.7 Da LogP 3.57 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(c1ccccc1)c1cccc(Cl)c1`
ZINC2386679 ZINC	0.692	267.1 Da LogP 4.36 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1`
ZINC1555402 ZINC	0.684	279.1 Da LogP 4.06 TPSA 34.1	✓ Ro5	Alert	`O=C(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1`
ZINC1571070 ZINC	0.680	200.6 Da LogP 1.74 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(=O)O)c(Cl)c1`
ZINC37378035 ZINC	0.680	219.0 Da LogP 2.26 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)C(=O)c1ccc(Cl)c(Cl)c1`
ZINC4776651 ZINC	0.680	290.7 Da LogP 3.68 TPSA 78.4	✓ Ro5	✓ Clean	`O=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)O)cc1`
ZINC2518017 ZINC	0.679	212.6 Da LogP 2.39 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)CCC(=O)c1ccccc1Cl`
ZINC1184484 ZINC	0.677	394.8 Da LogP 4.54 TPSA 95.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(NC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2…`
ZINC307519262 ZINC	0.667	257.9 Da LogP 3.89 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(c1cccc(Cl)c1)C(Cl)(Cl)Cl`
ZINC343704 ZINC	0.667	208.2 Da LogP 1.04 TPSA 91.7	✓ Ro5	✓ Clean	`O=C(O)CC(=O)c1ccccc1C(=O)O`
ZINC71405457 ZINC	0.656	278.7 Da LogP 3.41 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)c1ccc(F)c(C(=O)c2cccc(Cl)c2)c1`
ZINC2567379 ZINC	0.655	257.1 Da LogP 2.50 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)CCC(=O)c1ccccc1Br`
ZINC2579878 ZINC	0.655	304.1 Da LogP 2.34 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)CCC(=O)c1ccccc1I`
ZINC12359380 ZINC	0.654	235.5 Da LogP 2.80 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Br)c(Cl)c1`
ZINC196253320 ZINC	0.654	292.4 Da LogP 4.55 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl`
ZINC2568089 ZINC	0.654	235.5 Da LogP 2.80 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Cl)c(Br)c1`
ZINC2571851 ZINC	0.654	282.5 Da LogP 2.64 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Cl)c(I)c1`
ZINC3157259 ZINC	0.654	275.7 Da LogP 3.29 TPSA 66.4	✓ Ro5	✓ Clean	`O=C(O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1`
ZINC40571399 ZINC	0.654	282.5 Da LogP 2.64 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(I)c(Cl)c1`
ZINC4670141 ZINC	0.654	275.7 Da LogP 3.33 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(CNCc2ccc(Cl)cc2)cc1`
ZINC5768361 ZINC	0.654	276.7 Da LogP 3.26 TPSA 63.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1`
ZINC388094 ZINC	0.650	251.1 Da LogP 4.22 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1`
ZINC147806 ZINC	0.645	290.7 Da LogP 3.68 TPSA 78.4	✓ Ro5	✓ Clean	`O=C(Nc1cccc(Cl)c1)Nc1cccc(C(=O)O)c1`
ZINC2565657 ZINC	0.643	208.6 Da LogP 3.08 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(c1cccc(Cl)c1)C(F)(F)F`
ZINC2170331 ZINC	0.636	244.7 Da LogP 3.41 TPSA 34.1	✓ Ro5	Alert	`O=C(C(=O)c1ccc(Cl)cc1)c1ccccc1`
ZINC14619964 ZINC	0.633	206.2 Da LogP 2.76 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)c1ccccc1C(=O)O`
ZINC216777092 ZINC	0.633	311.1 Da LogP 3.91 TPSA 63.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1`
ZINC236510 ZINC	0.633	228.2 Da LogP 2.89 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)CCC(=O)c1cccc2ccccc12`
ZINC52201682 ZINC	0.633	206.2 Da LogP 2.30 TPSA 54.4	✓ Ro5	✓ Clean	`CCc1ccccc1C(=O)CCC(=O)O`
ZINC114185151 ZINC	0.632	298.2 Da LogP 2.15 TPSA 108.7	✓ Ro5	Alert	`O=C(O)c1ccc(C(=O)C(=O)c2ccc(C(=O)O)cc2)cc1`
ZINC28567519 ZINC	0.632	466.4 Da LogP -1.00 TPSA 215.5	1 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)/N=C(\O)…`
ZINC15441610 ZINC	0.630	285.6 Da LogP 4.88 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(c1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1`
ZINC2378575 ZINC	0.630	243.0 Da LogP 3.74 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(c1ccc(Cl)c(Cl)c1)C(F)(F)F`
ZINC2514256 ZINC	0.630	231.1 Da LogP 4.22 TPSA 17.1	✓ Ro5	✓ Clean	`CC(C)(C)C(=O)c1ccc(Cl)c(Cl)c1`

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 A0A0H3GT05

Pathways

KEGG R04030 BioCyc O-SUCCINYLBENZOATE-COA-LIG-RXN

O-succinylbenzoate-CoA ligase

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

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 · P2Rank

Binding pockets · FPocket

Structural evidence

Ligand evidence

Cross-references

Sequence

Pathways