KpKP13 Protein target profile

LpxA-like domain-containing transferase

Accession: KP13_00363

Gene: AHE46898.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GKW1

Export view

Length 151

Pocket druggability (P2Rank · AlphaFold DB model) 0.049

Direct ligand evidence 0 66 total records

Functional annotation 0 EC 0 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

Microbiome similarity 56 of 4744 screened genomes (1.2%) have a significant similarity hit. Weak predicted binding pocket FPocket selected-pocket score 0.26. Weak second pocket-predictor signal P2Rank predicted binding-site probability 0.05.

Evidence gaps

No metabolic context No SBML/network-derived reaction evidence is loaded for this protein.

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: 1.2% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): Y
DEG identity (%): 50.0 Higher values support similarity to known essential genes.
DEG E-value: 0.4 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT: 97.54 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) 0.049

Structure A0A0H3GKW1

Pocket Pocket 1

Druggability (FPocket) 0.258

Structure A0A0H3GKW1

Pocket Pocket 1

ColabFold model

P2Rank 0.039 · Pocket 1

FPocket 0.17 · Pocket 2

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 56 / 4744 genomes with a hit

Prevalence 1.2%

Cross-references

External database identifiers for this protein, its structures, ligands, and metabolic reactions.

Sequence

UniProt A0A0H3GKW1

Sequence

Primary amino-acid sequence viewer.

MPELRDTGVRNVVCGENVVIYQPANLYDCQLGDNVFVGPFVEIQGNTRIGANSKIQSHTFICEYVTIGQRCFIGHGVMFANDLFREGKPNADRASWGRIEIGDDVSIGSGATILAVSICDGVVIGAGSVVTKSITEKGVWAGNPARLLRRL

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

Subcellular localization

Localization: Unknown

No GO or EC annotations are currently loaded for this protein.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

11 records

Show feature table

Start	End	DB	Term	Name
5	150	Gene3D	G3DSA:2.160.10.10	Hexapeptide repeat proteins
15	149	PANTHER	PTHR43300	ACETYLTRANSFERASE
65	74	Pfam	PF14602	Hexapeptide repeat of succinyl-transferase
65	74	InterPro	IPR001451	Hexapeptide repeat
99	132	Pfam	PF14602	Hexapeptide repeat of succinyl-transferase
99	132	InterPro	IPR001451	Hexapeptide repeat
11	151	SUPERFAMILY	SSF51161	Trimeric LpxA-like enzymes
11	151	InterPro	IPR011004	Trimeric LpxA-like superfamily
31	149	CDD	cd03358	LbH_WxcM_N_like
28	61	Pfam	PF00132	Bacterial transferase hexapeptide (six repeats)
28	61	InterPro	IPR001451	Hexapeptide repeat

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.

Download VMD script Full viewer

Loading 3D structure...

Drag to rotate — click the view, then scroll to zoom.

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

0.049

Show in viewer

Surrounding area

Binding pockets · FPocket

Druggability (FPocket): high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Pocket 1 FPocket #1

0.258

Show in viewer

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_A0A0H3GKW1	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold KP13_00363	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.

66 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 16 records from similar proteins

Structural ligands 16 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

1F7 PDB via homolog 584.7 Da · LogP 3.04 · TPSA 182.5 Open detail RCSB PDB

4TG PDB via homolog Detail RCSB PDB

FTT PDB via homolog Detail RCSB PDB

O3V PDB via homolog Detail RCSB PDB

O3Y 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
1F7 RCSB PDB	4IHF	P21645	584.7 Da LogP 3.04 TPSA 182.5	2 viol.	✓ Clean	`CCCCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](C…`
4TG RCSB PDB	4ZU4	Q12KT8	575.4 Da LogP -2.67 TPSA 265.4	3 viol.	✓ Clean	`C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP…`
FTT RCSB PDB	4IHG	P21645	244.4 Da LogP 3.74 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCCC[C@H](CC(=O)O)O`
O3V RCSB PDB	6P84	P21645	389.5 Da LogP 5.01 TPSA 68.0	1 viol.	✓ Clean	`CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)…`
O3Y RCSB PDB	6P83	P21645	417.9 Da LogP 5.60 TPSA 68.0	1 viol.	✓ Clean	`CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5ccccc5Cl)C(…`
O4D RCSB PDB	6P8A	P21645	396.5 Da LogP 1.68 TPSA 77.2	✓ Ro5	✓ Clean	`Cc1cc(nc2c1c(nn2CC(=O)NCCCN3CCOCC3)n4cccc4)C`
O4G RCSB PDB	6P88	P21645	364.4 Da LogP 3.56 TPSA 89.8	✓ Ro5	✓ Clean	`c1cc(cc(c1)NC(=O)c2ccco2)NC(=O)c3ccc4c(c3)OCCO4`
O4P RCSB PDB	6P87	P21645	406.5 Da LogP 4.86 TPSA 54.6	✓ Ro5	✓ Clean	`CN([C@@H](c1cccs1)c2c[nH]c3c2cccc3)C(=O)COc4ccc…`
O4S RCSB PDB	6P86	P21645	474.6 Da LogP 3.51 TPSA 73.0	✓ Ro5	✓ Clean	`CCc1ccc(cc1)CNC(=O)CN2c3cc(ccc3N4CCCC[C@@H]4C2=…`
O4V RCSB PDB	6P85	P21645	358.4 Da LogP 2.39 TPSA 100.1	✓ Ro5	✓ Clean	`CCOc1ccccc1n2c(c(nn2)S(=O)(=O)c3ccc(cc3)C)N`
PNS RCSB PDB	4IHG	P21645	358.4 Da LogP -0.96 TPSA 145.2	1 viol.	✓ Clean	`CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O`
SXA RCSB PDB	6X3C	P26839	400.4 Da LogP -0.61 TPSA 162.3	✓ Ro5	✓ Clean	`CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O…`
T3F RCSB PDB	3FSC	Q6TFC6	547.3 Da LogP -2.46 TPSA 262.3	3 viol.	✓ Clean	`C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)…`
T3Q RCSB PDB	3FSB	Q6TFC6	547.3 Da LogP -2.46 TPSA 262.3	3 viol.	✓ Clean	`C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O…`
TDR RCSB PDB	4MZU	Q12KT8	126.1 Da LogP -0.63 TPSA 65.7	✓ Ro5	✓ Clean	`CC1=CNC(=O)NC1=O`
TYD RCSB PDB	4MZU	Q12KT8	402.2 Da LogP -1.28 TPSA 197.6	✓ Ro5	✓ Clean	`CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@]…`

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
ZINC100305273 ZINC	1.000	286.5 Da LogP 4.91 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC[C@H](O)CC(=O)O`
ZINC100305277 ZINC	1.000	286.5 Da LogP 4.91 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC[C@@H](O)CC(=O)O`
ZINC100500540 ZINC	1.000	230.3 Da LogP 3.35 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCC[C@@H](O)CC(=O)O`
ZINC100500548 ZINC	1.000	258.4 Da LogP 4.13 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCC[C@H](O)CC(=O)O`
ZINC100500553 ZINC	1.000	258.4 Da LogP 4.13 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCC[C@@H](O)CC(=O)O`
ZINC15835555 ZINC	1.000	406.5 Da LogP 4.86 TPSA 54.6	✓ Ro5	✓ Clean	`COc1ccccc1OCC(=O)N(C)[C@@H](c1cccs1)c1c[nH]c2cc…`
ZINC15835557 ZINC	1.000	406.5 Da LogP 4.86 TPSA 54.6	✓ Ro5	✓ Clean	`COc1ccccc1OCC(=O)N(C)[C@H](c1cccs1)c1c[nH]c2ccc…`
ZINC16051927 ZINC	1.000	216.3 Da LogP 2.96 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCC[C@@H](O)CC(=O)O`
ZINC2039068 ZINC	1.000	244.4 Da LogP 3.74 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCCC[C@H](O)CC(=O)O`
ZINC2039069 ZINC	1.000	244.4 Da LogP 3.74 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCCC[C@@H](O)CC(=O)O`
ZINC2504625 ZINC	1.000	216.3 Da LogP 2.96 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCC[C@H](O)CC(=O)O`
ZINC2558055 ZINC	1.000	202.3 Da LogP 2.57 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCC[C@H](O)CC(=O)O`
ZINC2558056 ZINC	1.000	230.3 Da LogP 3.35 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCC[C@H](O)CC(=O)O`
ZINC32838984 ZINC	1.000	272.4 Da LogP 4.52 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC[C@@H](O)CC(=O)O`
ZINC32838986 ZINC	1.000	272.4 Da LogP 4.52 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC[C@H](O)CC(=O)O`
ZINC6817538 ZINC	1.000	358.4 Da LogP 2.39 TPSA 100.1	✓ Ro5	✓ Clean	`CCOc1ccccc1-n1nnc(S(=O)(=O)c2ccc(C)cc2)c1N`
ZINC754049 ZINC	1.000	364.4 Da LogP 3.56 TPSA 89.8	✓ Ro5	✓ Clean	`O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc2c(c1)OCCO2`
ZINC85915165 ZINC	1.000	202.3 Da LogP 2.57 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCC[C@@H](O)CC(=O)O`
ZINC2858547 ZINC	0.864	350.3 Da LogP 3.51 TPSA 89.8	✓ Ro5	✓ Clean	`O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc2c(c1)OCO2`
ZINC861606 ZINC	0.860	364.4 Da LogP 3.56 TPSA 89.8	✓ Ro5	✓ Clean	`O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)OCCO2`
ZINC8907957 ZINC	0.844	364.4 Da LogP 3.56 TPSA 89.8	✓ Ro5	✓ Clean	`O=C(Nc1ccc2c(c1)OCCO2)c1cccc(NC(=O)c2ccco2)c1`
ZINC8060160 ZINC	0.800	364.4 Da LogP 3.56 TPSA 89.8	✓ Ro5	✓ Clean	`O=C(Nc1ccc2c(c1)OCCO2)c1ccc(NC(=O)c2ccco2)cc1`
ZINC15835570 ZINC	0.789	406.5 Da LogP 4.86 TPSA 54.6	✓ Ro5	✓ Clean	`COc1ccc(OCC(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3cccc…`
ZINC15835572 ZINC	0.789	406.5 Da LogP 4.86 TPSA 54.6	✓ Ro5	✓ Clean	`COc1ccc(OCC(=O)N(C)[C@H](c2cccs2)c2c[nH]c3ccccc…`
ZINC15835539 ZINC	0.786	376.5 Da LogP 4.86 TPSA 45.3	✓ Ro5	✓ Clean	`CN(C(=O)COc1ccccc1)[C@@H](c1cccs1)c1c[nH]c2cccc…`
ZINC15835541 ZINC	0.786	376.5 Da LogP 4.86 TPSA 45.3	✓ Ro5	✓ Clean	`CN(C(=O)COc1ccccc1)[C@H](c1cccs1)c1c[nH]c2ccccc…`
ZINC15835551 ZINC	0.783	421.5 Da LogP 4.76 TPSA 88.5	✓ Ro5	✓ Clean	`CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H](c1cccs1)c…`
ZINC15835553 ZINC	0.783	421.5 Da LogP 4.76 TPSA 88.5	✓ Ro5	✓ Clean	`CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H](c1cccs1)c1…`
ZINC31159540 ZINC	0.778	204.3 Da LogP 1.15 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@@H](O)C[C@@H](O)CC(=O)O`
ZINC31159544 ZINC	0.778	204.3 Da LogP 1.15 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@H](O)C[C@@H](O)CC(=O)O`
ZINC31159548 ZINC	0.778	204.3 Da LogP 1.15 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@@H](O)C[C@H](O)CC(=O)O`
ZINC31159552 ZINC	0.778	204.3 Da LogP 1.15 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@H](O)C[C@H](O)CC(=O)O`
ZINC15835543 ZINC	0.776	394.5 Da LogP 5.00 TPSA 45.3	✓ Ro5	✓ Clean	`CN(C(=O)COc1ccc(F)cc1)[C@@H](c1cccs1)c1c[nH]c2c…`
ZINC15835545 ZINC	0.776	394.5 Da LogP 5.00 TPSA 45.3	✓ Ro5	✓ Clean	`CN(C(=O)COc1ccc(F)cc1)[C@H](c1cccs1)c1c[nH]c2cc…`
ZINC8610730 ZINC	0.769	460.6 Da LogP 3.25 TPSA 73.0	✓ Ro5	✓ Clean	`Cc1cccc(CNC(=O)CN2C(=O)[C@@H]3CCCCN3c3ccc(C(=O)…`
ZINC147022 ZINC	0.767	245.2 Da LogP 2.30 TPSA 60.7	✓ Ro5	✓ Clean	`O=C(Nc1ccc2c(c1)OCCO2)c1ccco1`
ZINC11179983 ZINC	0.765	420.4 Da LogP 3.90 TPSA 106.9	✓ Ro5	✓ Clean	`O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1cccc(NC(=O)c2ccc…`
ZINC809576 ZINC	0.739	350.3 Da LogP 3.51 TPSA 89.8	✓ Ro5	✓ Clean	`O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)OCO2`
ZINC8324629 ZINC	0.729	378.4 Da LogP 3.95 TPSA 89.8	✓ Ro5	✓ Clean	`O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(NC(=O)c2ccco2)cc1`
ZINC15835479 ZINC	0.712	430.5 Da LogP 4.81 TPSA 63.8	✓ Ro5	✓ Clean	`COc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccc…`
ZINC15835481 ZINC	0.712	430.5 Da LogP 4.81 TPSA 63.8	✓ Ro5	✓ Clean	`COc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2cc…`
ZINC2859273 ZINC	0.712	409.4 Da LogP 3.39 TPSA 101.8	✓ Ro5	✓ Clean	`O=C(NC(=S)Nc1cccc(NC(=O)c2ccco2)c1)c1ccc2c(c1)O…`
ZINC7599071 ZINC	0.712	378.4 Da LogP 3.86 TPSA 89.8	✓ Ro5	✓ Clean	`Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1NC(=O)c1ccco1`
ZINC4749328 ZINC	0.711	312.3 Da LogP 2.67 TPSA 76.7	✓ Ro5	✓ Clean	`CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1`
ZINC878093 ZINC	0.711	374.4 Da LogP 3.96 TPSA 76.7	✓ Ro5	✓ Clean	`O=C(Nc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1)c1ccccc1`
ZINC31773507 ZINC	0.709	312.4 Da LogP 4.58 TPSA 36.1	✓ Ro5	✓ Clean	`CCCC(=O)N(C)[C@@H](c1cccs1)c1c[nH]c2ccccc12`
ZINC31773509 ZINC	0.709	312.4 Da LogP 4.58 TPSA 36.1	✓ Ro5	✓ Clean	`CCCC(=O)N(C)[C@H](c1cccs1)c1c[nH]c2ccccc12`
ZINC13507072 ZINC	0.708	482.2 Da LogP -1.16 TPSA 244.1	2 viol.	✓ Clean	`Cc1cn([C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)(O)O[P@…`
ZINC33979251 ZINC	0.708	482.2 Da LogP -1.16 TPSA 244.1	2 viol.	✓ Clean	`Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)O[P@@…`
ZINC16430195 ZINC	0.706	423.5 Da LogP 3.43 TPSA 101.8	✓ Ro5	✓ Clean	`O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)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.