KpATCC43816 Protein target profile

formate transporter FocA

Accession: VK055_1552

Gene: focA AIK80172.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GL09

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Length 285

Pocket druggability (P2Rank · AlphaFold DB model) 0.742

Direct ligand evidence 0 52 total records

Functional annotation 0 EC 7 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 0.74, FPocket 0.88). Use the 3D pocket comparison to verify whether they identify the same site. 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. 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: No hit
Gut microbiome similarity: 3.0% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): Y
DEG identity (%): 53.232 Higher values support similarity to known essential genes.
DEG E-value: 3.76e-104 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT: 94.77 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) 0.742

Structure A0A0H3GL09

Pocket Pocket 1

Druggability (FPocket) 0.876

Structure A0A0H3GL09

Pocket Pocket 7

ColabFold model

P2Rank 0.673 · Pocket 1

FPocket 0.686 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 144 / 4744 genomes with a hit

Prevalence 3.0%

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.

MKADNPFDLLLPAAMAKVAEEAGVYKATKHPMKTFYLAITAGVFISIAFVFYITATTGTAAMPYGIAKLIGGICFSLGLILCVICGADLFTSTVLIVVAKASGRITWGQLAKNWLNVYFGNLVGALLFVLLMWLSGEYMTANGGWGLNVLQTADHKMHHTFVEAVSLGILANLMVCLAVWMSYSGRSLMDKAMIMVLPVAMFVASGFEHSIANMFMIPMGIVIRNFASPEFWTAIGSTPESFSHLTVMNFITDNLIPVTIGNIIGGGLLVGLTYWVIYLRGNDHH

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

7 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:0015724 The directed movement of formate into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
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:0015499 Enables the transfer of formate from one side of a membrane to the other. Formate is also known as methanoate, the anion HCOO- derived from methanoic (formic) acid.
GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
GO:0042802 Binding to an identical protein or proteins.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

34 records

Show feature table

Start	End	DB	Term	Name
135	163	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
14	279	NCBIfam	TIGR04060	formate transporter FocA
14	279	InterPro	IPR023999	Formate transporter FocA
83	92	ProSitePatterns	PS01005	Formate and nitrite transporters signature 1.
83	92	InterPro	IPR024002	Formate/nitrite transporter, conserved site
35	55	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
195	223	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
77	99	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
256	278	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
113	134	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	268	Gene3D	G3DSA:1.20.1080.10	Glycerol uptake facilitator protein.
1	268	InterPro	IPR023271	Aquaporin-like
119	141	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
26	280	NCBIfam	TIGR00790	formate/nitrite family transporter
26	280	InterPro	IPR000292	Formate/nitrite transporter
184	194	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
168	178	ProSitePatterns	PS01006	Formate and nitrite transporters signature 2.
168	178	InterPro	IPR024002	Formate/nitrite transporter, conserved site
56	74	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
16	276	Pfam	PF01226	Formate/nitrite transporter
16	276	InterPro	IPR000292	Formate/nitrite transporter
1	34	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
164	183	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
75	101	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
161	183	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	282	PANTHER	PTHR30520	FORMATE TRANSPORTER-RELATED
1	282	InterPro	IPR000292	Formate/nitrite transporter
224	254	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
102	112	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
195	217	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
278	285	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
255	277	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	268	FunFam	G3DSA:1.20.1080.10:FF:000006	Formate transporter FocA
35	57	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

0.742

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Surrounding area

Pocket 2 P2Rank #2

0.394

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Surrounding area

Pocket 3 P2Rank #3

0.014

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Surrounding area

Pocket 4 P2Rank #4

0.009

Likely same site as FPocket 7 3.6 Å 6 shared residues 100% of smaller site

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Surrounding area

Pocket 5 P2Rank #5

0.003

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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 #7

0.876

Likely same site as P2Rank 4 3.6 Å 6 shared residues 100% of smaller site

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Surrounding area

Pocket 2 FPocket #17

0.252

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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

0.673

Likely same site as FPocket 1 4.7 Å 16 shared residues 100% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.448

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Surrounding area

Pocket 3 P2Rank #3

0.031

Likely same site as FPocket 11 2.4 Å 7 shared residues 100% of smaller site

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Surrounding area

Pocket 4 P2Rank #4

0.002

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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

0.686

Likely same site as P2Rank 1 4.7 Å 16 shared residues 100% of smaller site

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Surrounding area

Pocket 2 FPocket #14

0.301

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Surrounding area

Pocket 3 FPocket #11

0.297

Likely same site as P2Rank 3 2.4 Å 7 shared residues 100% of smaller site

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Surrounding area

Pocket 4 FPocket #4

0.27

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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_A0A0H3GL09	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_1552	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.

52 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 2 records from similar proteins

Structural ligands 2 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

HV6 PDB via homolog 312.2 Da · LogP 3.22 · TPSA 66.8 Open detail RCSB PDB

R7M PDB via homolog Detail RCSB PDB

ZINC305070 ZINC proposed compound · Tanimoto 1.000 Detail ZINC

ZINC305075 ZINC proposed compound · Tanimoto 1.000 Detail ZINC

ZINC2269662 ZINC proposed compound · Tanimoto 0.844 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
HV6 RCSB PDB	7E27	O77389	312.2 Da LogP 3.22 TPSA 66.8	✓ Ro5	✓ Clean	`COc1ccc(c(c1)O)C(=O)/C=C(/C(C(F)(F)F)(F)F)\O`
R7M RCSB PDB	6VQR	O77389	312.2 Da LogP 2.55 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)O[C@](CC2=O)(C(C(F)(F)F)(F)F)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
ZINC305070 ZINC	1.000	312.2 Da LogP 2.55 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)O[C@@](O)(C(F)(F)C(F)(F)F)CC2=O`
ZINC305075 ZINC	1.000	312.2 Da LogP 2.55 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)O[C@](O)(C(F)(F)C(F)(F)F)CC2=O`
ZINC2269662 ZINC	0.844	412.2 Da LogP 3.82 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)O[C@@](O)(C(F)(F)C(F)(F)C(F)(F)C(F…`
ZINC2269663 ZINC	0.844	412.2 Da LogP 3.82 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)O[C@](O)(C(F)(F)C(F)(F)C(F)(F)C(F)…`
ZINC510164 ZINC	0.818	312.2 Da LogP 2.55 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)C(=O)C[C@@](O)(C(F)(F)C(F)(F)F)O2`
ZINC510165 ZINC	0.818	312.2 Da LogP 2.55 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)C(=O)C[C@](O)(C(F)(F)C(F)(F)F)O2`
ZINC185374 ZINC	0.814	262.2 Da LogP 1.91 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)O[C@@](O)(C(F)(F)F)CC2=O`
ZINC185379 ZINC	0.814	262.2 Da LogP 1.91 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)O[C@](O)(C(F)(F)F)CC2=O`
ZINC185396 ZINC	0.745	294.2 Da LogP 2.25 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)O[C@@](O)(C(F)(F)C(F)F)CC2=O`
ZINC185400 ZINC	0.745	294.2 Da LogP 2.25 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)O[C@](O)(C(F)(F)C(F)F)CC2=O`
ZINC352495 ZINC	0.660	262.2 Da LogP 1.91 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)C(=O)C[C@@](O)(C(F)(F)F)O2`
ZINC352496 ZINC	0.660	262.2 Da LogP 1.91 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)C(=O)C[C@](O)(C(F)(F)F)O2`
ZINC100477125 ZINC	0.659	261.2 Da LogP 1.99 TPSA 72.5	✓ Ro5	✓ Clean	`COc1ccc(C(=O)/C=C(\N)C(F)(F)F)c(O)c1`
ZINC62765 ZINC	0.652	244.2 Da LogP 1.61 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)O[C@@](O)(C(F)F)CC2=O`
ZINC62766 ZINC	0.652	244.2 Da LogP 1.61 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)O[C@](O)(C(F)F)CC2=O`
ZINC2564985 ZINC	0.634	206.2 Da LogP 2.55 TPSA 46.5	✓ Ro5	Alert	`COc1ccc(C(=O)C=C(C)C)c(O)c1`
ZINC306607 ZINC	0.622	282.2 Da LogP 2.54 TPSA 46.5	✓ Ro5	✓ Clean	`O=C1C[C@@](O)(C(F)(F)C(F)(F)F)Oc2ccccc21`
ZINC306608 ZINC	0.622	282.2 Da LogP 2.54 TPSA 46.5	✓ Ro5	✓ Clean	`O=C1C[C@](O)(C(F)(F)C(F)(F)F)Oc2ccccc21`
ZINC510413 ZINC	0.608	294.2 Da LogP 2.25 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)C(=O)C[C@@](O)(C(F)(F)C(F)F)O2`
ZINC510414 ZINC	0.608	294.2 Da LogP 2.25 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)C(=O)C[C@](O)(C(F)(F)C(F)F)O2`
ZINC2237688 ZINC	0.604	296.2 Da LogP 2.85 TPSA 46.5	✓ Ro5	✓ Clean	`Cc1ccc2c(c1)C(=O)C[C@@](O)(C(F)(F)C(F)(F)F)O2`
ZINC2237689 ZINC	0.604	296.2 Da LogP 2.85 TPSA 46.5	✓ Ro5	✓ Clean	`Cc1ccc2c(c1)C(=O)C[C@](O)(C(F)(F)C(F)(F)F)O2`
ZINC163342 ZINC	0.600	206.2 Da LogP 2.44 TPSA 35.5	✓ Ro5	✓ Clean	`COc1ccc2c(c1)OC(C)(C)CC2=O`
ZINC6621609 ZINC	0.587	310.6 Da LogP 2.80 TPSA 72.5	✓ Ro5	✓ Clean	`COc1ccc(C(=O)/C=C(\N)C(Cl)(Cl)Cl)c(O)c1`
ZINC307341 ZINC	0.571	316.6 Da LogP 3.19 TPSA 46.5	✓ Ro5	✓ Clean	`O=C1C[C@@](O)(C(F)(F)C(F)(F)F)Oc2ccc(Cl)cc21`
ZINC307342 ZINC	0.571	316.6 Da LogP 3.19 TPSA 46.5	✓ Ro5	✓ Clean	`O=C1C[C@](O)(C(F)(F)C(F)(F)F)Oc2ccc(Cl)cc21`
ZINC155181 ZINC	0.564	274.3 Da LogP 2.35 TPSA 76.0	✓ Ro5	✓ Clean	`COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1`
ZINC164955549 ZINC	0.563	232.3 Da LogP 2.97 TPSA 35.5	✓ Ro5	✓ Clean	`COc1ccc2c(c1)OC1(CCCC1)CC2=O`
ZINC536952832 ZINC	0.560	282.3 Da LogP 3.61 TPSA 35.5	✓ Ro5	✓ Clean	`COc1ccc2c(c1)OC1(CCC(F)(F)CC1)CC2=O`
ZINC34463037 ZINC	0.551	246.3 Da LogP 3.36 TPSA 35.5	✓ Ro5	✓ Clean	`COc1ccc2c(c1)OC1(CCCCC1)CC2=O`
ZINC101388655 ZINC	0.543	346.2 Da LogP 4.15 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(C(=O)/C=C(\O)C(F)(F)C(F)(F)C(F)(F)F)cc1`
ZINC234879321 ZINC	0.533	288.6 Da LogP 3.73 TPSA 26.3	✓ Ro5	✓ Clean	`COc1ccc(C(=O)C(F)(F)C(F)(F)F)c(Cl)c1`
ZINC17381066 ZINC	0.532	254.3 Da LogP 3.30 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(C(=O)/C=C\c2ccccc2)c(O)c1`
ZINC4104687 ZINC	0.532	254.3 Da LogP 3.30 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(C(=O)/C=C/c2ccccc2)c(O)c1`
ZINC96341526 ZINC	0.531	298.3 Da LogP 3.00 TPSA 83.8	✓ Ro5	✓ Clean	`COc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)c(O)c1`
ZINC11849209 ZINC	0.529	247.3 Da LogP 1.78 TPSA 47.6	✓ Ro5	✓ Clean	`COc1ccc2c(c1)OC1(CCNCC1)CC2=O`
ZINC136138 ZINC	0.523	228.2 Da LogP 2.63 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(C(=O)c2ccccc2)c(O)c1`
ZINC17005691 ZINC	0.522	218.3 Da LogP 2.72 TPSA 46.5	✓ Ro5	✓ Clean	`C/C=C\C=C/C(=O)c1ccc(OC)cc1O`
ZINC17005695 ZINC	0.522	218.3 Da LogP 2.72 TPSA 46.5	✓ Ro5	✓ Clean	`C/C=C\C=C\C(=O)c1ccc(OC)cc1O`
ZINC17005698 ZINC	0.522	218.3 Da LogP 2.72 TPSA 46.5	✓ Ro5	✓ Clean	`C/C=C/C=C\C(=O)c1ccc(OC)cc1O`
ZINC1729936 ZINC	0.522	218.3 Da LogP 2.72 TPSA 46.5	✓ Ro5	✓ Clean	`C/C=C/C=C/C(=O)c1ccc(OC)cc1O`
ZINC26461571 ZINC	0.522	221.3 Da LogP 1.66 TPSA 49.8	✓ Ro5	✓ Clean	`COc1ccc(C(=O)/C=C/N(C)C)c(O)c1`
ZINC4252588 ZINC	0.522	284.3 Da LogP 3.31 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc(/C=C/C(=O)c2ccc(OC)cc2O)cc1`
ZINC4532316 ZINC	0.522	284.3 Da LogP 3.31 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc(/C=C\C(=O)c2ccc(OC)cc2O)cc1`
ZINC4551810 ZINC	0.521	261.2 Da LogP 1.99 TPSA 72.5	✓ Ro5	✓ Clean	`COc1ccc(O)c(C(=O)/C=C(\N)C(F)(F)F)c1`
ZINC2317084 ZINC	0.520	382.2 Da LogP 3.81 TPSA 46.5	✓ Ro5	✓ Clean	`O=C1C[C@@](O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2…`
ZINC2317085 ZINC	0.520	382.2 Da LogP 3.81 TPSA 46.5	✓ Ro5	✓ Clean	`O=C1C[C@](O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2c…`
ZINC438317 ZINC	0.520	244.2 Da LogP 1.61 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)C(=O)C[C@@](O)(C(F)F)O2`
ZINC438318 ZINC	0.520	244.2 Da LogP 1.61 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)C(=O)C[C@](O)(C(F)F)O2`
ZINC554662 ZINC	0.520	310.2 Da LogP 3.15 TPSA 46.5	✓ Ro5	✓ Clean	`Cc1cc(C)c2c(c1)O[C@](O)(C(F)(F)C(F)(F)F)CC2=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.

Sequence

UniProt A0A0H3GL09