KpATCC43816 Protein target profile

oxalate/formate antiporter

Accession: VK055_0744

Gene: AIK79367.1 oxlT 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GNI8

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Length 418

Pocket druggability (P2Rank · AlphaFold DB model) 0.916

Direct ligand evidence 0 54 total records

Functional annotation 0 EC 5 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

Core gene across strains Marked as conserved by both pan-genome tools: Roary and CoreCruncher. Second pocket predictor agrees P2Rank predicted binding-site probability 0.92. Structure available AlphaFold DB model + ColabFold model Ligand evidence via structure/bioactivity 4 structural and 0 bioactivity records.

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 (%): 31.461 Lower values reduce human off-target concern.
Human E-value: 2.67e-07
Gut microbiome similarity: 0.4% 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: 88.81 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) 0.916

Structure A0A0H3GNI8

Pocket Pocket 1

Druggability (FPocket) 0.798

Structure A0A0H3GNI8

Pocket Pocket 6

ColabFold model

P2Rank 0.941 · Pocket 1

FPocket 0.381 · Pocket 9

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 18 / 4744 genomes with a hit

Prevalence 0.4%

Metabolic context

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

This protein is not associated with the imported metabolic network for this genome.

Browse the genome's metabolic network

Imported from KpATCC43816.sbml · 2026-07-09

Sequence

Primary amino-acid sequence viewer.

MTTLSEPLVTPKYGKWRQLVLGLICMAAISSPQYVWTLLTKPLAAKLGVGLPELQVTFSLLIILQTFFSPFQGRLVEKFGPRRLIAIGTVMAGMSWVLSAQVNGLATLWLVYGCMGGLGTGIVYIGVVGLMVKWFPQQRGFAAGAVAAGYGMGAIITTFPISLSLTTNGLEHTMTTFGILFALVGFLASQGLKLPPPAVSQPVSQTVVQSSRSFTSREMLRQPLFWLMFAMMAMMSTSGLMVTSQMAVFAEDFGISQAVVFGMAALPLALTIDRFTNGLTRPLFGFISDRFGREQTMFIAFALEGVAMMLWLACREDPLLFVLLSGVVFFGWGEIFSLFPSTLTDTFGSEHAASNYGWLYISQGIGSIFGGPLAALLYQHTHGWHVVFSCAIGLDFVTAALALWVLKPWRARFIRQHS

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Subcellular localization

Localization: CytoplasmicMembrane

Gene Ontology (GO)

GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
GO:0019532 The directed movement of oxalate into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. Oxalate, or ethanedioic acid, occurs in many plants and is highly toxic to animals.
GO:0022857 Enables the transfer of a substance, usually a specific substance or a group of related substances, from one side of a membrane to the other.
GO:0019531 Enables the transfer of oxalate from one side of a membrane to the other. Oxalate, or ethanedioic acid, occurs in many plants and is highly toxic to animals.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

50 records

Show feature table

Start	End	DB	Term	Name
35	267	Pfam	PF07690	Major Facilitator Superfamily
35	267	InterPro	IPR011701	Major facilitator superfamily
276	295	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
15	405	CDD	cd17353	MFS_OFA_like
164	168	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
37	55	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1	410	ProSiteProfiles	PS50850	Major facilitator superfamily (MFS) profile.
1	410	InterPro	IPR020846	Major facilitator superfamily domain
11	201	Gene3D	G3DSA:1.20.1250.20	MFS general substrate transporter like domains
11	201	InterPro	IPR036259	MFS transporter superfamily
216	412	Gene3D	G3DSA:1.20.1250.20	MFS general substrate transporter like domains
216	412	InterPro	IPR036259	MFS transporter superfamily
141	163	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
20	39	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
224	243	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
56	72	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
103	107	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
244	254	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1	18	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
106	128	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
379	383	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
384	406	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
15	417	NCBIfam	TIGR04259	oxalate/formate MFS antiporter
15	417	InterPro	IPR026355	Oxalate/formate antiporter
84	102	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
319	339	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
340	358	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
255	275	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
19	36	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
224	243	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
15	414	SUPERFAMILY	SSF103473	MFS general substrate transporter
15	414	InterPro	IPR036259	MFS transporter superfamily
359	378	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
108	132	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
384	406	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
14	388	PANTHER	PTHR11360	MONOCARBOXYLATE TRANSPORTER
296	313	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
407	418	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
314	318	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
141	163	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
189	223	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
169	188	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
355	377	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
133	140	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
173	192	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
54	71	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
84	102	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
253	272	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
73	83	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
318	340	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.

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

0.916

Likely same site as FPocket 6 1.1 Å 27 shared residues 93% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.158

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Surrounding area

Pocket 3 P2Rank #3

0.074

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Surrounding area

Pocket 4 P2Rank #4

0.063

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Surrounding area

Pocket 5 P2Rank #5

0.017

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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 #6

0.798 Unusual size

Likely same site as P2Rank 1 1.1 Å 27 shared residues 93% 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

0.941

Likely same site as FPocket 9 2.7 Å 25 shared residues 93% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.203

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Surrounding area

Pocket 3 P2Rank #3

0.143

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Surrounding area

Pocket 4 P2Rank #4

0.021

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Surrounding area

Pocket 5 P2Rank #5

0.01

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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_A0A0H3GNI8	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_0744	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.

54 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 4 records from similar proteins

Structural ligands 4 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

02Q PDB via homolog 164.2 Da · LogP 2.01 · TPSA 37.3 Open detail RCSB PDB

1HN PDB via homolog Detail RCSB PDB

FIV PDB via homolog Detail RCSB PDB

HCI PDB via homolog Detail RCSB PDB

ZINC164010 ZINC proposed compound · Tanimoto 0.870 Detail ZINC

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
02Q RCSB PDB	6ZGU	A0LNN5	164.2 Da LogP 2.01 TPSA 37.3	✓ Ro5	✓ Clean	`Cc1ccccc1CCC(=O)O`
1HN RCSB PDB	6ZGR	A0LNN5	188.2 Da LogP 2.24 TPSA 57.5	✓ Ro5	✓ Clean	`c1ccc2c(c1)ccc(c2O)C(=O)O`
FIV RCSB PDB	6ZGT	A0LNN5	172.2 Da LogP 2.54 TPSA 37.3	✓ Ro5	✓ Clean	`c1ccc2cc(ccc2c1)C(=O)O`
HCI RCSB PDB	6ZGS	A0LNN5	150.2 Da LogP 1.70 TPSA 37.3	✓ Ro5	✓ Clean	`c1ccc(cc1)CCC(=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
ZINC164010 ZINC	0.870	222.2 Da LogP 3.69 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc2cc3ccccc3cc2c1`
ZINC156288 ZINC	0.810	216.2 Da LogP 2.24 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc2cc(C(=O)O)ccc2c1`
ZINC406914 ZINC	0.800	222.2 Da LogP 1.72 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCc1ccc(CCC(=O)O)cc1`
ZINC2528279 ZINC	0.773	216.2 Da LogP 2.24 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc2ccc(C(=O)O)cc2c1`
ZINC406170 ZINC	0.767	292.3 Da LogP 3.47 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1C(=O)c1ccc2ccccc2c1O`
ZINC9998612 ZINC	0.750	226.3 Da LogP 3.37 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCc1ccc(-c2ccccc2)cc1`
ZINC2163727 ZINC	0.739	222.2 Da LogP 1.72 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCc1cccc(CCC(=O)O)c1`
ZINC2599161 ZINC	0.739	266.3 Da LogP 3.39 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc2cc3cc(C(=O)O)ccc3cc2c1`
ZINC1673354 ZINC	0.727	238.3 Da LogP 3.82 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(CCc1ccccc1)CCc1ccccc1`
ZINC1693912 ZINC	0.727	266.3 Da LogP 3.39 TPSA 34.1	✓ Ro5	Alert	`O=C(CCc1ccccc1)C(=O)CCc1ccccc1`
ZINC3844983 ZINC	0.720	260.3 Da LogP 3.91 TPSA 34.1	✓ Ro5	Alert	`O=C(C(=O)c1ccc2ccccc2c1)c1ccccc1`
ZINC2529014 ZINC	0.704	248.3 Da LogP 4.21 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc3ccccc3c2)cc1`
ZINC39428991 ZINC	0.704	222.2 Da LogP 3.69 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc2c(ccc3ccccc32)c1`
ZINC44672411 ZINC	0.704	248.3 Da LogP 4.21 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc2cc(-c3ccccc3)ccc2c1`
ZINC2516358 ZINC	0.700	224.3 Da LogP 3.81 TPSA 17.1	✓ Ro5	✓ Clean	`Cc1ccccc1CCC(=O)c1ccccc1`
ZINC1680758 ZINC	0.692	232.3 Da LogP 4.07 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(c1ccccc1)c1ccc2ccccc2c1`
ZINC247409588 ZINC	0.692	220.3 Da LogP 2.44 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)CCCC(=O)CCc1ccccc1`
ZINC29563531 ZINC	0.692	200.2 Da LogP 2.11 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)C(=O)c1ccc2ccccc2c1`
ZINC1558609 ZINC	0.680	248.4 Da LogP 4.43 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCc1ccccc1`
ZINC2510086 ZINC	0.680	262.4 Da LogP 4.82 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCc1ccccc1`
ZINC2575483 ZINC	0.680	206.3 Da LogP 3.26 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCCCCCc1ccccc1`
ZINC2575484 ZINC	0.680	220.3 Da LogP 3.65 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCc1ccccc1`
ZINC2575485 ZINC	0.680	234.3 Da LogP 4.04 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCc1ccccc1`
ZINC71256874 ZINC	0.679	248.3 Da LogP 4.21 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc2ccc(-c3ccccc3)cc2c1`
ZINC84551502 ZINC	0.677	243.1 Da LogP 2.77 TPSA 37.3	✓ Ro5	✓ Clean	`Cc1cccc(CCC(=O)O)c1Br`
ZINC11962728 ZINC	0.667	242.3 Da LogP 3.50 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)CCc1ccc(Oc2ccccc2)cc1`
ZINC1727327 ZINC	0.667	208.2 Da LogP 1.33 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCc1ccccc1CC(=O)O`
ZINC19436641 ZINC	0.667	203.2 Da LogP 1.66 TPSA 69.6	✓ Ro5	✓ Clean	`O=C(NO)c1ccc2ccccc2c1O`
ZINC345518 ZINC	0.667	222.2 Da LogP 3.69 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc2ccc3ccccc3c2c1`
ZINC49820418 ZINC	0.667	226.3 Da LogP 3.37 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCc1cccc(-c2ccccc2)c1`
ZINC100476725 ZINC	0.656	290.3 Da LogP 4.00 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(CC(=O)c1ccc2ccccc2c1O)c1ccccc1`
ZINC71392 ZINC	0.656	263.3 Da LogP 3.80 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(Nc1ccccc1)c1ccc2ccccc2c1O`
ZINC1512447 ZINC	0.655	276.3 Da LogP 3.77 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1C(=O)c1ccc2ccccc2c1`
ZINC156804 ZINC	0.655	251.1 Da LogP 3.30 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc2ccccc2c1Br`
ZINC1571200 ZINC	0.655	216.2 Da LogP 2.24 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc2ccccc2c1C(=O)O`
ZINC163985 ZINC	0.655	256.3 Da LogP 3.28 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)CCc1ccc(OCc2ccccc2)cc1`
ZINC2529015 ZINC	0.655	248.3 Da LogP 4.21 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1cccc(-c2ccc3ccccc3c2)c1`
ZINC144318170 ZINC	0.654	214.2 Da LogP 2.74 TPSA 54.4	✓ Ro5	✓ Clean	`CC(=O)c1ccc2cc(C(=O)O)ccc2c1`
ZINC6535079 ZINC	0.654	204.2 Da LogP 1.95 TPSA 77.8	✓ Ro5	Alert	`O=C(O)c1ccc2cc(O)c(O)cc2c1`
ZINC1667321 ZINC	0.645	200.2 Da LogP 3.14 TPSA 37.3	✓ Ro5	✓ Clean	`CCC(=O)c1ccc2ccccc2c1O`
ZINC19837284 ZINC	0.645	201.2 Da LogP 1.90 TPSA 49.3	✓ Ro5	✓ Clean	`CNC(=O)c1ccc2ccccc2c1O`
ZINC2516359 ZINC	0.645	238.3 Da LogP 4.12 TPSA 17.1	✓ Ro5	✓ Clean	`Cc1ccccc1CCC(=O)c1ccccc1C`
ZINC2516382 ZINC	0.645	252.4 Da LogP 4.43 TPSA 17.1	✓ Ro5	✓ Clean	`Cc1ccccc1CCC(=O)c1c(C)cccc1C`
ZINC2378594 ZINC	0.643	224.2 Da LogP 3.58 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(c1ccc2ccccc2c1)C(F)(F)F`
ZINC3132463 ZINC	0.643	212.3 Da LogP 4.07 TPSA 17.1	✓ Ro5	✓ Clean	`CC(C)(C)C(=O)c1ccc2ccccc2c1`
ZINC394670686 ZINC	0.643	273.5 Da LogP 4.39 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(c1ccc2ccccc2c1)C(Cl)(Cl)Cl`
ZINC1089845 ZINC	0.640	210.3 Da LogP 3.50 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(CCc1ccccc1)c1ccccc1`
ZINC15780483 ZINC	0.640	224.3 Da LogP 3.43 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(CCc1ccccc1)Cc1ccccc1`
ZINC1663872 ZINC	0.640	276.1 Da LogP 2.31 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCc1ccc(I)cc1`
ZINC2574309 ZINC	0.640	229.1 Da LogP 2.47 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCc1ccc(Br)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 A0A0H3GNI8