KpATCC43816 Protein target profile

amidohydrolase family protein

Accession: VK055_0432

Gene: AIK79058.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GQW7

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Length 472

Pocket druggability (P2Rank · AlphaFold DB model) 0.932

Direct ligand evidence 0 57 total records

Functional annotation 0 EC 2 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

Second pocket predictor agrees P2Rank predicted binding-site probability 0.93. Structure available AlphaFold DB model + ColabFold model Ligand evidence via structure/bioactivity 7 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 (%): 28.571 Lower values reduce human off-target concern.
Human E-value: 8.59e-08
Gut microbiome similarity: 0.2% 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: 96.19 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) 0.932

Structure A0A0H3GQW7

Pocket Pocket 1

Druggability (FPocket) 0.771

Structure A0A0H3GQW7

Pocket Pocket 7

ColabFold model

P2Rank 0.94 · Pocket 1

FPocket 0.56 · Pocket 26

Core conservation Accessory gene

Roary accessory

CoreCruncher accessory

Gut microbiome 10 / 4744 genomes with a hit

Prevalence 0.2%

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.

MSLMIKNAHAILSGLPGEAARLAGPDIRIRDGKIAAIGSLTPLPEERQIDARDCVIYPAWVNTHHHLFQSLLKGEPQGLNQSLTAWLSATPYRFRAAFDEHTFRLAVRIGLVELLRSGCASVADHNYLYWPDMPFDTSEIVFSEGEALGMRIVLCRGGATQGRAVEKDLPVALRPETFDGYMADVERLVSRYHDPRPESLRRVVMAPTTVLHSAPGAQLREMAKLARQLGIRLHSHLSETVDYLDAARQKFAMTPVQFCAEHDWLGNDVWFAHLVKLLPEEIALLGRTGTGIAHCPQSNGRLGSGIADLLALEQAGVPVSLGVDGAASNEAADMQSEAHAAWLLQRARKGMLAQPRYAGGTFEGGADAATVEDVVRWGSAGGAQILGLAQSGTLQVGMQADLAIYRLDDPRYFGLHDMAIGPVACGGRAALKALLLNGRPIVEDDAIPGLDLDAMRHDALAAVRTLQQRAAV

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Subcellular localization

Localization: Cytoplasmic

Gene Ontology (GO)

GO:0016810 Catalysis of the hydrolysis of any carbon-nitrogen bond, C-N, with the exception of peptide bonds.
GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

18 records

Show feature table

Start	End	DB	Term	Name
1	7	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
20	472	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
385	446	Gene3D	G3DSA:2.30.40.10	Urease, subunit C, domain 1
385	446	InterPro	IPR011059	Metal-dependent hydrolase, composite domain superfamily
1	63	Gene3D	G3DSA:2.30.40.10	Urease, subunit C, domain 1
1	63	InterPro	IPR011059	Metal-dependent hydrolase, composite domain superfamily
64	384	Gene3D	G3DSA:3.20.20.140	-
8	15	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
1	19	Phobius	SIGNAL_PEPTIDE	Signal peptide region
16	19	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
2	466	SUPERFAMILY	SSF51338	Composite domain of metallo-dependent hydrolases
2	466	InterPro	IPR011059	Metal-dependent hydrolase, composite domain superfamily
58	389	SUPERFAMILY	SSF51556	Metallo-dependent hydrolases
58	389	InterPro	IPR032466	Metal-dependent hydrolase
3	448	CDD	cd01298	ATZ_TRZ_like
56	415	Pfam	PF01979	Amidohydrolase family
56	415	InterPro	IPR006680	Amidohydrolase-related
19	470	PANTHER	PTHR43794	AMINOHYDROLASE SSNA-RELATED

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

0.932

Likely same site as FPocket 7 5.2 Å 17 shared residues 81% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.076

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Surrounding area

Pocket 3 P2Rank #3

0.019

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Surrounding area

Pocket 4 P2Rank #4

0.006

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Surrounding area

Pocket 5 P2Rank #5

0.001

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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

0.771 Unusual size

Likely same site as P2Rank 1 5.2 Å 17 shared residues 81% 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

0.94

Likely same site as FPocket 26 4.3 Å 21 shared residues 75% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.106

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Surrounding area

Pocket 3 P2Rank #3

0.051

Likely same site as FPocket 26 4.6 Å 6 shared residues 100% of smaller site

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Surrounding area

Pocket 4 P2Rank #4

0.014

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Surrounding area

Pocket 5 P2Rank #5

0.01

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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 #26

0.56 Unusual size

Likely same site as P2Rank 1 4.3 Å 21 shared residues 75% of smaller site

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Surrounding area

Pocket 2 FPocket #11

0.55

Likely same site as P2Rank 1 5.3 Å 13 shared residues 87% of smaller site

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Surrounding area

Pocket 3 FPocket #10

0.244

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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_A0A0H3GQW7	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_0432	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.

57 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 7 records from similar proteins

Structural ligands 7 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

AOO PDB via homolog 211.3 Da · LogP 1.13 · TPSA 72.0 Open detail RCSB PDB

GUN PDB via homolog Detail RCSB PDB

MCF PDB via homolog Detail RCSB PDB

MTA PDB via homolog Detail RCSB PDB

NOS 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
AOO RCSB PDB	3LSC	Q6SJY7	211.3 Da LogP 1.13 TPSA 72.0	✓ Ro5	✓ Clean	`CCNc1nc(nc(n1)OC)NC(C)C`
GUN RCSB PDB	2I9U	Q97MB6	151.1 Da LogP -0.77 TPSA 100.5	✓ Ro5	✓ Clean	`c1[nH]c2c(n1)C(=O)NC(=N2)N`
MCF RCSB PDB	4GBD	Q9HZ64	314.4 Da LogP -0.84 TPSA 112.1	✓ Ro5	✓ Clean	`CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=CNC[C…`
MTA RCSB PDB	4F0R	Q7NZ90	297.3 Da LogP -0.61 TPSA 119.3	✓ Ro5	✓ Clean	`CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)…`
NOS RCSB PDB	4F0S	Q7NZ90	268.2 Da LogP -2.27 TPSA 133.5	✓ Ro5	✓ Clean	`c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=…`
RYN RCSB PDB	3LSB	Q6SJY7	227.3 Da LogP 1.85 TPSA 62.7	✓ Ro5	✓ Clean	`CCNc1nc(nc(n1)SC)NC(C)C`
SIB RCSB PDB	2PLM	Q9X034	385.4 Da LogP -1.73 TPSA 176.6	✓ Ro5	✓ Clean	`c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[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
ZINC1635497 ZINC	1.000	211.3 Da LogP 1.13 TPSA 72.0	✓ Ro5	✓ Clean	`CCNc1nc(NC(C)C)nc(OC)n1`
ZINC85378 ZINC	1.000	227.3 Da LogP 1.85 TPSA 62.7	✓ Ro5	✓ Clean	`CCNc1nc(NC(C)C)nc(SC)n1`
ZINC2012987 ZINC	0.758	225.3 Da LogP 1.52 TPSA 72.0	✓ Ro5	✓ Clean	`CCNc1nc(N[C@H](C)CC)nc(OC)n1`
ZINC2012989 ZINC	0.758	225.3 Da LogP 1.52 TPSA 72.0	✓ Ro5	✓ Clean	`CCNc1nc(N[C@@H](C)CC)nc(OC)n1`
ZINC2015372 ZINC	0.758	255.4 Da LogP 2.48 TPSA 62.7	✓ Ro5	✓ Clean	`CCNc1nc(N[C@@H](C)C(C)C)nc(SC)n1`
ZINC2015373 ZINC	0.758	255.4 Da LogP 2.48 TPSA 62.7	✓ Ro5	✓ Clean	`CCNc1nc(N[C@H](C)C(C)C)nc(SC)n1`
ZINC1635499 ZINC	0.750	241.4 Da LogP 2.23 TPSA 62.7	✓ Ro5	✓ Clean	`CSc1nc(NC(C)C)nc(NC(C)C)n1`
ZINC1635501 ZINC	0.750	213.3 Da LogP 1.46 TPSA 62.7	✓ Ro5	✓ Clean	`CCNc1nc(NCC)nc(SC)n1`
ZINC2011064 ZINC	0.750	224.3 Da LogP 1.56 TPSA 74.8	✓ Ro5	✓ Clean	`CCNc1nc(NCC)nc(NC(C)C)n1`
ZINC246221 ZINC	0.750	225.3 Da LogP 1.52 TPSA 72.0	✓ Ro5	✓ Clean	`COc1nc(NC(C)C)nc(NC(C)C)n1`
ZINC4095697 ZINC	0.750	284.3 Da LogP -2.21 TPSA 132.4	✓ Ro5	✓ Clean	`OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)[C@H](O)[C…`
ZINC209232 ZINC	0.727	239.3 Da LogP 1.91 TPSA 72.0	✓ Ro5	✓ Clean	`CCNc1nc(NC(C)C)nc(OC(C)C)n1`
ZINC272227 ZINC	0.727	225.3 Da LogP 1.52 TPSA 72.0	✓ Ro5	✓ Clean	`CCNc1nc(NC(C)C)nc(OCC)n1`
ZINC2040064 ZINC	0.656	213.3 Da LogP 1.46 TPSA 62.7	✓ Ro5	✓ Clean	`CNc1nc(NC(C)C)nc(SC)n1`
ZINC2267469 ZINC	0.649	257.4 Da LogP 1.21 TPSA 83.0	✓ Ro5	✓ Clean	`CCNc1nc(NC(C)C)nc(SCCO)n1`
ZINC2270177 ZINC	0.649	241.3 Da LogP 0.49 TPSA 92.2	✓ Ro5	✓ Clean	`CCNc1nc(NC(C)C)nc(OCCO)n1`
ZINC1674993 ZINC	0.640	296.4 Da LogP 0.06 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCSCCSCC[C@H](N)C(=O)O)C(=O)O`
ZINC1674994 ZINC	0.640	296.4 Da LogP 0.06 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCSCCSCC[C@@H](N)C(=O)O)C(=O)O`
ZINC1674996 ZINC	0.640	296.4 Da LogP 0.06 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CCSCCSCC[C@@H](N)C(=O)O)C(=O)O`
ZINC2811475 ZINC	0.636	211.3 Da LogP 1.13 TPSA 72.0	✓ Ro5	✓ Clean	`CCCNc1nc(NCC)nc(OC)n1`
ZINC3078958 ZINC	0.636	215.7 Da LogP 1.78 TPSA 62.7	✓ Ro5	✓ Clean	`CCNc1nc(Cl)nc(NC(C)C)n1`
ZINC2227578 ZINC	0.632	236.3 Da LogP 1.03 TPSA 95.8	✓ Ro5	✓ Clean	`CCNc1nc(NC(C)C)nc(OCC#N)n1`
ZINC347829 ZINC	0.632	252.3 Da LogP 1.90 TPSA 84.3	✓ Ro5	✓ Clean	`CCNc1nc(NC(C)C)nc(ON=C(C)C)n1`
ZINC9974955 ZINC	0.625	215.0 Da LogP 0.41 TPSA 74.4	✓ Ro5	✓ Clean	`O=c1[nH]c(Br)nc2[nH]cnc12`
ZINC2008092 ZINC	0.618	241.4 Da LogP 2.24 TPSA 62.7	✓ Ro5	✓ Clean	`CCNc1nc(NC(C)(C)C)nc(SC)n1`
ZINC350642 ZINC	0.618	225.3 Da LogP 1.52 TPSA 72.0	✓ Ro5	✓ Clean	`CCNc1nc(NC(C)(C)C)nc(OC)n1`
ZINC1529407 ZINC	0.615	222.3 Da LogP -1.07 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCSC[C@@H](N)C(=O)O)C(=O)O`
ZINC1532680 ZINC	0.615	222.3 Da LogP -1.07 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O`
ZINC1708207 ZINC	0.615	222.3 Da LogP -1.07 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CCSC[C@H](N)C(=O)O)C(=O)O`
ZINC1708208 ZINC	0.615	222.3 Da LogP -1.07 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CSCC[C@@H](N)C(=O)O)C(=O)O`
ZINC2040313 ZINC	0.615	271.4 Da LogP 1.86 TPSA 72.0	✓ Ro5	✓ Clean	`COCCCNc1nc(NC(C)C)nc(SC)n1`
ZINC1605257 ZINC	0.613	280.4 Da LogP 0.39 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)O`
ZINC1605258 ZINC	0.613	280.4 Da LogP 0.39 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](NC(=O)[C@H](N)CCSC)C(=O)O`
ZINC1605259 ZINC	0.613	280.4 Da LogP 0.39 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@H](CCSC)C(=O)O`
ZINC1605260 ZINC	0.613	280.4 Da LogP 0.39 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@@H](N)C(=O)N[C@H](CCSC)C(=O)O`
ZINC2384801 ZINC	0.613	220.3 Da LogP -0.34 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)O`
ZINC4556875 ZINC	0.613	220.3 Da LogP -0.34 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@@H](N)C(=O)N[C@@H](C)C(=O)O`
ZINC4556876 ZINC	0.613	220.3 Da LogP -0.34 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@@H](N)C(=O)N[C@H](C)C(=O)O`
ZINC4556877 ZINC	0.613	220.3 Da LogP -0.34 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@H](C)C(=O)O`
ZINC2475625 ZINC	0.585	283.3 Da LogP 1.07 TPSA 98.3	✓ Ro5	✓ Clean	`CCNc1nc(NC(C)C)nc(OCCOC(C)=O)n1`
ZINC1569523 ZINC	0.581	206.3 Da LogP -0.73 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@@H](N)C(=O)NCC(=O)O`
ZINC1593212 ZINC	0.581	206.3 Da LogP -0.73 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)NCC(=O)O`
ZINC2038056 ZINC	0.576	255.4 Da LogP 2.62 TPSA 62.7	✓ Ro5	✓ Clean	`CCSc1nc(NC(C)C)nc(NC(C)C)n1`
ZINC2384813 ZINC	0.576	236.3 Da LogP -1.37 TPSA 112.7	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](CO)C(=O)O`
ZINC2384835 ZINC	0.576	264.3 Da LogP -0.89 TPSA 129.7	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O`
ZINC2390943 ZINC	0.576	248.3 Da LogP 0.29 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC4557150 ZINC	0.576	236.3 Da LogP -1.37 TPSA 112.7	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@H](CO)C(=O)O`
ZINC4899465 ZINC	0.576	411.6 Da LogP 0.63 TPSA 121.5	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC…`
ZINC64219373 ZINC	0.576	411.6 Da LogP 0.63 TPSA 121.5	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CCSC)…`
ZINC13308059 ZINC	0.574	280.3 Da LogP -1.63 TPSA 123.1	✓ Ro5	✓ Clean	`OCC1=C[C@H](n2cnc3c2N=CNC[C@@H]3O)[C@@H](O)[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 A0A0H3GQW7