KpATCC43816 Protein target profile

bacterial extracellular solute-binding, 5 Middlefamily protein

Accession: VK055_4188

Gene: AIK82733.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0ABD7NX05

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Length 507

Pocket druggability (P2Rank · AlphaFold DB model) 0.833

Direct ligand evidence 0 56 total records

Functional annotation 0 EC 3 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 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: 0.9% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): N
DEG identity (%): 29.082 Higher values support similarity to known essential genes.

Structure confidence

ColabFold pLDDT: 93.48 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) 0.833

Structure A0ABD7NX05

Pocket Pocket 1

Druggability (FPocket) 0.603

Structure A0ABD7NX05

Pocket Pocket 10

ColabFold model

P2Rank 0.952 · Pocket 1

FPocket 0.261 · Pocket 5

Core conservation Accessory gene

Roary accessory

CoreCruncher accessory

Gut microbiome 45 / 4744 genomes with a hit

Prevalence 0.9%

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.

MQAKTDSTSGHSLTLAIGEEPSEGFDPLLGWSHGSTLLLHSALLKQNVDMDWENFLTEHVEHSADGKIWTITLLPDLKFSDGSPLTAQDVAFTYNQAAQGGGKIDMGNFSAARVLDDRRVEITLSAPQSTFVSVLGSLGIVPQHQYDAKTYAQNPVGAGPYRLVSFQPGQQLIVEANPYYSGHRNDFDKLIFVFLDEDSAYAAAQSGQLGLVRVAPSVSVTPQQGLTLWVRPSVENRGIAFPTIPAGQKDANGYPIGNDVTADVAIRRAINYAIDRHLLANQLMEGHAVPAYSAVQGLPWDNPQAAFKDGDLATAKHILDDAGWEVGEDGIRVKNGKKAQLTLWYASGDSTRRDLAQAVSAMVKPLGIAMELKSGSWETVERHMHANPTLFGWGSLDPMELYHHYSSKAAGVEYYNPGYYSNNAVDQHLQQALNAPTWQQAVPVWQQVEWDGESGAGVRGDAAWAWLLNLQHTYLASPCIDLGNAAPEIHGSWSVLNNVQDWKWTCQ

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Subcellular localization

Localization: Periplasmic

Gene Ontology (GO)

GO:0043190 A complex for the transport of metabolites into and out of the cell, typically comprised of four domains; two membrane-associated domains and two ATP-binding domains at the intracellular face of the membrane, that form a central pore through the plasma membrane. Each of the four core domains may be encoded as a separate polypeptide or the domains can be fused in any one of a number of ways into multidomain polypeptides. In Bacteria and Archaebacteria, ABC transporters also include substrate binding proteins to bind substrate external to the cytoplasm and deliver it to the transporter.
GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
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.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

11 records

Show feature table

Start	End	DB	Term	Name
1	496	PIRSF	PIRSF002741	MppA
1	496	InterPro	IPR030678	Peptide/nickel binding protein, MppA-type
14	480	PANTHER	PTHR30290	PERIPLASMIC BINDING COMPONENT OF ABC TRANSPORTER
14	480	InterPro	IPR039424	Solute-binding protein family 5
56	407	Pfam	PF00496	Bacterial extracellular solute-binding proteins, family 5 Middle
56	407	InterPro	IPR000914	Solute-binding protein family 5 domain
25	231	Gene3D	G3DSA:3.40.190.10	-
232	475	Gene3D	G3DSA:3.10.105.10	-
232	474	FunFam	G3DSA:3.10.105.10:FF:000009	ABC transporter substrate-binding protein
13	483	CDD	cd08518	PBP2_NikA_DppA_OppA_like_19
8	480	SUPERFAMILY	SSF53850	Periplasmic binding protein-like II

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

0.833

Likely same site as FPocket 10 6.5 Å 25 shared residues 86% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.716

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Surrounding area

Pocket 3 P2Rank #3

0.296

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Surrounding area

Pocket 4 P2Rank #4

0.135

Likely same site as FPocket 10 6.5 Å 14 shared residues 100% of smaller site

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Surrounding area

Pocket 5 P2Rank #5

0.073

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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 #10

0.603 Unusual size

Likely same site as P2Rank 4 6.5 Å 14 shared residues 100% 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

0.952

Likely same site as FPocket 5 7.7 Å 37 shared residues 76% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.259

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Surrounding area

Pocket 3 P2Rank #3

0.105

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Surrounding area

Pocket 4 P2Rank #4

0.031

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Surrounding area

Pocket 5 P2Rank #5

0.016

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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_A0ABD7NX05	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_4188	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.

56 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 6 records from similar proteins

Structural ligands 6 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

8UX PDB via homolog 328.3 Da · LogP -1.10 · TPSA 164.6 Open detail RCSB PDB

N72 PDB via homolog Detail RCSB PDB

N7T PDB via homolog Detail RCSB PDB

NGE PDB via homolog Detail RCSB PDB

OXL 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
8UX RCSB PDB	5YH8	Q2FVE7	328.3 Da LogP -1.10 TPSA 164.6	1 viol.	✓ Clean	`C[C@@H](C(=O)O)N[C@@H](CCN[C@H](Cc1c[nH]cn1)C(=…`
N72 RCSB PDB	6TFQ	O50271	309.3 Da LogP -3.46 TPSA 184.6	1 viol.	✓ Clean	`C(CC(=O)O)[C@H](C(=O)O)NCC(=O)[C@@H]([C@@H]([C@…`
N7T RCSB PDB	6TFS	O50271	309.3 Da LogP -3.46 TPSA 184.6	1 viol.	✓ Clean	`C(CC(=O)O)[C@@H](C(=O)O)NCC(=O)[C@H]([C@@H]([C@…`
NGE RCSB PDB	5YYB	Q7VL18	325.3 Da LogP -4.90 TPSA 197.0	1 viol.	✓ Clean	`C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([…`
OXL RCSB PDB	4OEV	Q0P844	88.0 Da LogP -3.51 TPSA 80.3	✓ Ro5	✓ Clean	`C(=O)(C(=O)[O-])[O-]`
SLB RCSB PDB	5Z99	Q7VL18	309.3 Da LogP -3.87 TPSA 176.8	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@H](C[C@](O[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).

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
ZINC106403632 ZINC	1.000	325.3 Da LogP -4.90 TPSA 197.0	1 viol.	✓ Clean	`O=C(CO)N[C@H]1[C@@H]([C@H](O)[C@H](O)CO)O[C@@](…`
ZINC12359995 ZINC	1.000	309.3 Da LogP -3.87 TPSA 176.8	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)C[C@](O)(C(=O)O)O[C@H]1[C…`
ZINC15206143 ZINC	1.000	309.3 Da LogP -3.87 TPSA 176.8	1 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H]([C@@H](O)[C@@H](O)CO)O[C@@]…`
ZINC15206146 ZINC	1.000	309.3 Da LogP -3.87 TPSA 176.8	1 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H]([C@H](O)[C@@H](O)CO)O[C@@](…`
ZINC15206149 ZINC	1.000	309.3 Da LogP -3.87 TPSA 176.8	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)C[C@](O)(C(=O)O)O[C@H]1[C…`
ZINC1532591 ZINC	1.000	309.3 Da LogP -3.87 TPSA 176.8	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)CO)O[C@@](…`
ZINC247362640 ZINC	1.000	325.3 Da LogP -4.90 TPSA 197.0	1 viol.	✓ Clean	`O=C(CO)N[C@H]1[C@@H]([C@H](O)[C@@H](O)CO)O[C@@]…`
ZINC247362642 ZINC	1.000	325.3 Da LogP -4.90 TPSA 197.0	1 viol.	✓ Clean	`O=C(CO)N[C@H]1[C@@H]([C@@H](O)[C@@H](O)CO)O[C@@…`
ZINC247362655 ZINC	1.000	325.3 Da LogP -4.90 TPSA 197.0	1 viol.	✓ Clean	`O=C(CO)N[C@H]1[C@@H]([C@@H](O)[C@H](O)CO)O[C@@]…`
ZINC2586055 ZINC	1.000	309.3 Da LogP -3.87 TPSA 176.8	1 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)C[C@](O)(C(=O)O)O[C@@H]1[…`
ZINC3793840 ZINC	1.000	309.3 Da LogP -3.87 TPSA 176.8	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1…`
ZINC3870085 ZINC	1.000	309.3 Da LogP -3.87 TPSA 176.8	1 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H]([C@H](O)[C@H](O)CO)O[C@@](O…`
ZINC3870086 ZINC	1.000	309.3 Da LogP -3.87 TPSA 176.8	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(C(=O)O)O[C@@H]1…`
ZINC4081651 ZINC	1.000	309.3 Da LogP -3.87 TPSA 176.8	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(C(=O)O)O[C@H]1[…`
ZINC4096097 ZINC	1.000	325.3 Da LogP -4.90 TPSA 197.0	1 viol.	✓ Clean	`O=C(CO)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]…`
ZINC4293691 ZINC	1.000	309.3 Da LogP -3.87 TPSA 176.8	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@@H]…`
ZINC43509538 ZINC	1.000	309.3 Da LogP -3.87 TPSA 176.8	1 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[…`
ZINC44790306 ZINC	1.000	309.3 Da LogP -3.87 TPSA 176.8	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(C(=O)O)O[C@@H]1…`
ZINC5227885 ZINC	1.000	309.3 Da LogP -3.87 TPSA 176.8	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)C[C@](O)(C(=O)O)O[C@H]1[C…`
ZINC71789682 ZINC	1.000	309.3 Da LogP -3.87 TPSA 176.8	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(C(=O)O)O[C@@H]1…`
ZINC71789683 ZINC	1.000	309.3 Da LogP -3.87 TPSA 176.8	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(C(=O)O)O[C@@H]1…`
ZINC71789800 ZINC	1.000	309.3 Da LogP -3.87 TPSA 176.8	1 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H]([C@@H](O)[C@H](O)CO)O[C@@](…`
ZINC71789801 ZINC	1.000	309.3 Da LogP -3.87 TPSA 176.8	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)C[C@](O)(C(=O)O)O[C@H]1[C…`
ZINC79036671 ZINC	1.000	309.3 Da LogP -3.46 TPSA 184.6	1 viol.	✓ Clean	`O=C(O)CC[C@H](NCC(=O)[C@@H](O)[C@H](O)[C@H](O)C…`
ZINC33977700 ZINC	0.818	308.3 Da LogP -3.91 TPSA 182.6	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1…`
ZINC100655903 ZINC	0.783	323.3 Da LogP -3.78 TPSA 165.8	1 viol.	✓ Clean	`COC(=O)[C@]1(O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@…`
ZINC100655904 ZINC	0.783	323.3 Da LogP -3.78 TPSA 165.8	1 viol.	✓ Clean	`COC(=O)[C@]1(O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@…`
ZINC100655906 ZINC	0.783	323.3 Da LogP -3.78 TPSA 165.8	1 viol.	✓ Clean	`COC(=O)[C@]1(O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@…`
ZINC146216515 ZINC	0.783	323.3 Da LogP -3.78 TPSA 165.8	1 viol.	✓ Clean	`COC(=O)[C@@]1(O)C[C@@H](O)[C@@H](NC(C)=O)[C@H](…`
ZINC2382416875 ZINC	0.783	323.3 Da LogP -3.78 TPSA 165.8	1 viol.	✓ Clean	`COC(=O)[C@@]1(O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([…`
ZINC2558706 ZINC	0.783	323.3 Da LogP -3.78 TPSA 165.8	1 viol.	✓ Clean	`COC(=O)[C@@]1(O)C[C@@H](O)[C@H](NC(C)=O)[C@@H](…`
ZINC2586056 ZINC	0.783	323.3 Da LogP -3.78 TPSA 165.8	1 viol.	✓ Clean	`COC(=O)[C@@]1(O)C[C@H](O)[C@H](NC(C)=O)[C@@H]([…`
ZINC26254851 ZINC	0.783	323.3 Da LogP -3.78 TPSA 165.8	1 viol.	✓ Clean	`COC(=O)[C@@]1(O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([…`
ZINC4293695 ZINC	0.783	323.3 Da LogP -3.78 TPSA 165.8	1 viol.	✓ Clean	`COC(=O)[C@]1(O)C[C@@H](O)[C@@H](NC(C)=O)[C@@H](…`
ZINC4293696 ZINC	0.783	323.3 Da LogP -3.78 TPSA 165.8	1 viol.	✓ Clean	`COC(=O)[C@]1(O)C[C@H](O)[C@@H](NC(C)=O)[C@@H]([…`
ZINC4293697 ZINC	0.783	323.3 Da LogP -3.78 TPSA 165.8	1 viol.	✓ Clean	`COC(=O)[C@]1(O)C[C@@H](O)[C@@H](NC(C)=O)[C@H]([…`
ZINC4293698 ZINC	0.783	323.3 Da LogP -3.78 TPSA 165.8	1 viol.	✓ Clean	`COC(=O)[C@]1(O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C…`
ZINC43771922 ZINC	0.783	323.3 Da LogP -3.78 TPSA 165.8	1 viol.	✓ Clean	`COC(=O)[C@]1(O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C…`
ZINC4533821 ZINC	0.783	323.3 Da LogP -3.78 TPSA 165.8	1 viol.	✓ Clean	`COC(=O)[C@@]1(O)C[C@@H](O)[C@@H](NC(C)=O)[C@@H]…`
ZINC4533822 ZINC	0.783	323.3 Da LogP -3.78 TPSA 165.8	1 viol.	✓ Clean	`COC(=O)[C@@]1(O)C[C@H](O)[C@@H](NC(C)=O)[C@@H](…`
ZINC64220345 ZINC	0.783	323.3 Da LogP -3.78 TPSA 165.8	1 viol.	✓ Clean	`COC(=O)[C@]1(O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@…`
ZINC76938880 ZINC	0.783	323.3 Da LogP -3.78 TPSA 165.8	1 viol.	✓ Clean	`COC(=O)[C@]1(O)C[C@@H](O)[C@@H](NC(C)=O)[C@H]([…`
ZINC95635434 ZINC	0.783	323.3 Da LogP -3.78 TPSA 165.8	1 viol.	✓ Clean	`COC(=O)[C@@]1(O)C[C@@H](O)[C@@H](NC(C)=O)[C@H](…`
ZINC4096286 ZINC	0.750	351.3 Da LogP -3.30 TPSA 182.8	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1…`
ZINC96327832 ZINC	0.750	351.3 Da LogP -3.30 TPSA 182.8	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(C(=O)O)O[C@H]1[…`
ZINC16123778 ZINC	0.694	323.3 Da LogP -3.22 TPSA 165.8	1 viol.	✓ Clean	`CO[C@]1(C(=O)O)C[C@@H](O)[C@@H](NC(C)=O)[C@H]([…`
ZINC247941808 ZINC	0.694	323.3 Da LogP -3.22 TPSA 165.8	1 viol.	✓ Clean	`CO[C@]1(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@…`
ZINC4557072 ZINC	0.694	323.3 Da LogP -3.22 TPSA 165.8	1 viol.	✓ Clean	`CO[C@]1(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@@H]([…`
ZINC5884114 ZINC	0.694	323.3 Da LogP -3.22 TPSA 165.8	1 viol.	✓ Clean	`CO[C@]1(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C…`
ZINC76935790 ZINC	0.694	323.3 Da LogP -3.22 TPSA 165.8	1 viol.	✓ Clean	`CO[C@]1(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@…`

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 A0ABD7NX05