KpKP13 Protein target profile

putative allantoin permease

Accession: KP13_05480

Gene: pucI AHE44485.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GT37

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Length 498

Pocket druggability (P2Rank · AlphaFold DB model) 0.896

Direct ligand evidence 0 55 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

Risks to review

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: 1.4% 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: 89.8 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) 0.896

Structure A0A0H3GT37

Pocket Pocket 1

Druggability (FPocket) 0.685

Structure A0A0H3GT37

Pocket Pocket 10

ColabFold model

P2Rank 0.916 · Pocket 1

FPocket 0.98 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 65 / 4744 genomes with a hit

Prevalence 1.4%

Sequence

Primary amino-acid sequence viewer.

MPHSSHTQQTKTHEAAAGYSPRLCNDDLAPTRDQNWSWYNIFSFWMSDVHSMGGYVVAASFFTLGLASWQVLLCLLVGICIVQLCANLVAKPSQMAGVPYAVICRQAFGVFGANIPAVIRGLIAFAWYGIQTYLAANALMLVLLKFWPSLSSLTSSSFLGLSTLGWLCFATMWLLQAMVFWHGMNAIKRFIDIAGPAVYVVMLALAGWIVYKTGLDGISFTLASKSLSAGEQTWQMITATALVVSYFSGPLLNFGDFSRYGKSMGEIRRGNRWGLPFNFLLFSVVTVVIVSGTQSLFGKMITDPIETVSRVGNDLAVAIGLLTMITATIGINIVANFVSPAFDFSNCAPQKISFRAGGMIAAVGSILLTPWNLFNSPELIHYTLDVLGAFIGPLFGILIADFYLIKRGRVSVDDLFDDTPKGKYWYRNGFNPKAIAALLPSVGLGLIISFIPALHEVANFSWFIGVFLGATTYRWLARDEREVQAKAAFRSGAVAQKE

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: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:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
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:0015205 Enables the transfer of a nucleobase, any nitrogenous base that is a constituent of a nucleoside, nucleotide, or nucleic acidfrom one side of a membrane to the other.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

45 records

Show feature table

Start	End	DB	Term	Name
375	385	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
71	90	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
406	433	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
435	454	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
96	118	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
343	353	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
12	486	PANTHER	PTHR30618	NCS1 FAMILY PURINE/PYRIMIDINE TRANSPORTER
12	486	InterPro	IPR045225	Uracil/uridine/allantoin permease
352	371	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
455	459	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
212	233	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
42	64	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
317	339	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
119	124	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
148	158	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
298	316	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
275	297	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
386	405	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
68	90	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
125	147	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
193	211	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
20	478	CDD	cd11555	SLC-NCS1sbd_u1
158	180	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
354	374	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
477	498	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
460	476	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
41	63	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
234	254	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	41	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
121	143	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
255	274	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
65	70	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
159	181	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
233	255	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
15	491	Gene3D	G3DSA:1.10.4160.10	Hydantoin permease
434	454	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
32	465	Pfam	PF02133	Permease for cytosine/purines, uracil, thiamine, allantoin
32	465	InterPro	IPR001248	Purine-cytosine permease
193	211	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
458	477	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
386	405	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
182	192	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
317	342	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
91	95	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
275	297	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

0.896

Likely same site as FPocket 10 2.1 Å 27 shared residues 93% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.206

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Surrounding area

Pocket 3 P2Rank #3

0.197

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Surrounding area

Pocket 4 P2Rank #4

0.116

Likely same site as FPocket 21 1.6 Å 8 shared residues 100% of smaller site

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Surrounding area

Pocket 5 P2Rank #5

0.064

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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

0.685 Unusual size

Likely same site as P2Rank 1 2.1 Å 27 shared residues 93% of smaller site

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Surrounding area

Pocket 2 FPocket #21

0.343

Likely same site as P2Rank 4 1.6 Å 8 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

0.916

Likely same site as FPocket 1 2.8 Å 27 shared residues 84% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.256

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Surrounding area

Pocket 3 P2Rank #3

0.125

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Surrounding area

Pocket 4 P2Rank #4

0.108

Likely same site as FPocket 25 7.9 Å 4 shared residues 44% of smaller site

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Surrounding area

Pocket 5 P2Rank #5

0.069

Likely same site as FPocket 19 1.3 Å 8 shared residues 100% of smaller site

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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

0.98

Likely same site as P2Rank 1 2.8 Å 27 shared residues 84% of smaller site

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Surrounding area

Pocket 2 FPocket #25

0.573

Likely same site as P2Rank 1 5.6 Å 11 shared residues 100% of smaller site

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Surrounding area

Pocket 3 FPocket #5

0.536

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Surrounding area

Pocket 4 FPocket #19

0.505

Likely same site as P2Rank 5 1.3 Å 8 shared residues 100% of smaller site

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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_A0A0H3GT37	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold KP13_05480	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.

55 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 5 records from similar proteins

Structural ligands 5 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

5FH PDB via homolog 190.2 Da · LogP 0.44 · TPSA 58.2 Open detail RCSB PDB

5ND PDB via homolog Detail RCSB PDB

5NL PDB via homolog Detail RCSB PDB

B5H PDB via homolog Detail RCSB PDB

I5H 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
5FH RCSB PDB	4D1B	D6R8X8	190.2 Da LogP 0.44 TPSA 58.2	✓ Ro5	✓ Clean	`c1ccc(cc1)C[C@H]2C(=O)NC(=O)N2`
5ND RCSB PDB	4D1D	D6R8X8	240.3 Da LogP 1.59 TPSA 58.2	✓ Ro5	✓ Clean	`c1ccc2cc(ccc2c1)C[C@@H]3C(=O)NC(=O)N3`
5NL RCSB PDB	4D1D	D6R8X8	240.3 Da LogP 1.59 TPSA 58.2	✓ Ro5	✓ Clean	`c1ccc2cc(ccc2c1)C[C@H]3C(=O)NC(=O)N3`
B5H RCSB PDB	4D1C	D6R8X8	267.1 Da LogP 1.63 TPSA 58.2	✓ Ro5	✓ Clean	`c1cc(cc(c1)Br)/C=C\2/C(=O)NC(=O)N2`
I5H RCSB PDB	4D1A	D6R8X8	229.2 Da LogP 0.92 TPSA 74.0	✓ Ro5	✓ Clean	`c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)NC(=O)N3`

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
ZINC1093415 ZINC	1.000	267.1 Da LogP 1.63 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)/C(=C\c2cccc(Br)c2)N1`
ZINC16386114 ZINC	1.000	267.1 Da LogP 1.63 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)/C(=C/c2cccc(Br)c2)N1`
ZINC1682922 ZINC	1.000	229.2 Da LogP 0.92 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1`
ZINC2043051 ZINC	1.000	229.2 Da LogP 0.92 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N1`
ZINC18209074 ZINC	0.800	372.4 Da LogP 2.42 TPSA 89.8	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1c[n…`
ZINC2113938 ZINC	0.800	372.4 Da LogP 2.42 TPSA 89.8	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]1Cc1c[…`
ZINC4073922 ZINC	0.800	372.4 Da LogP 2.42 TPSA 89.8	✓ Ro5	✓ Clean	`O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1c[…`
ZINC28526335 ZINC	0.750	245.3 Da LogP 1.08 TPSA 56.9	✓ Ro5	✓ Clean	`O=C1NC(=S)N[C@@H]1Cc1c[nH]c2ccccc12`
ZINC28526336 ZINC	0.750	245.3 Da LogP 1.08 TPSA 56.9	✓ Ro5	✓ Clean	`O=C1NC(=S)N[C@H]1Cc1c[nH]c2ccccc12`
ZINC18061788 ZINC	0.741	294.4 Da LogP 1.45 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2ccccc2)C(=O)N[C@H]1Cc1ccccc1`
ZINC2038712 ZINC	0.741	294.4 Da LogP 1.45 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H]1Cc1ccccc1`
ZINC2038715 ZINC	0.741	294.4 Da LogP 1.45 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2ccccc2)C(=O)N[C@@H]1Cc1ccccc1`
ZINC15773085 ZINC	0.722	283.1 Da LogP 1.79 TPSA 41.1	✓ Ro5	✓ Clean	`O=C1NC(=S)N/C1=C\c1cccc(Br)c1`
ZINC1669933 ZINC	0.710	224.6 Da LogP 1.09 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@H](Cc2ccc(Cl)cc2)N1`
ZINC2045152 ZINC	0.710	224.6 Da LogP 1.09 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@@H](Cc2ccc(Cl)cc2)N1`
ZINC5769509 ZINC	0.710	208.2 Da LogP 0.58 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@@H](Cc2ccc(F)cc2)N1`
ZINC5769537 ZINC	0.710	208.2 Da LogP 0.58 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@H](Cc2ccc(F)cc2)N1`
ZINC13430262 ZINC	0.700	273.3 Da LogP -0.31 TPSA 94.2	✓ Ro5	✓ Clean	`O=C1N[C@H](CO)C(=O)N[C@H]1Cc1c[nH]c2ccccc12`
ZINC13430264 ZINC	0.700	273.3 Da LogP -0.31 TPSA 94.2	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1CO`
ZINC13430265 ZINC	0.700	273.3 Da LogP -0.31 TPSA 94.2	✓ Ro5	✓ Clean	`O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1CO`
ZINC2560888 ZINC	0.700	333.4 Da LogP 1.94 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]1Cc1cc…`
ZINC4899716 ZINC	0.700	333.4 Da LogP 1.94 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1cc…`
ZINC6096559 ZINC	0.700	333.4 Da LogP 1.94 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2ccccc2)C(=O)N[C@H]1Cc1c[nH]c2cccc…`
ZINC6096622 ZINC	0.700	333.4 Da LogP 1.94 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1ccc…`
ZINC1754395 ZINC	0.688	204.2 Da LogP 0.75 TPSA 58.2	✓ Ro5	✓ Clean	`Cc1ccc(C[C@H]2NC(=O)NC2=O)cc1`
ZINC2034264 ZINC	0.688	204.2 Da LogP 0.75 TPSA 58.2	✓ Ro5	✓ Clean	`Cc1ccc(C[C@@H]2NC(=O)NC2=O)cc1`
ZINC3290147 ZINC	0.688	204.2 Da LogP 0.83 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@H](CCc2ccccc2)N1`
ZINC3290149 ZINC	0.688	204.2 Da LogP 0.83 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@@H](CCc2ccccc2)N1`
ZINC410261 ZINC	0.688	206.2 Da LogP 0.14 TPSA 78.4	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@H](Cc2ccc(O)cc2)N1`
ZINC410262 ZINC	0.688	206.2 Da LogP 0.14 TPSA 78.4	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@@H](Cc2ccc(O)cc2)N1`
ZINC5589124 ZINC	0.688	205.2 Da LogP 0.02 TPSA 84.2	✓ Ro5	Alert	`Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1`
ZINC5589126 ZINC	0.688	205.2 Da LogP 0.02 TPSA 84.2	✓ Ro5	Alert	`Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1`
ZINC6096554 ZINC	0.688	206.3 Da LogP 0.60 TPSA 41.1	✓ Ro5	✓ Clean	`O=C1NC(=S)N[C@@H]1Cc1ccccc1`
ZINC6096619 ZINC	0.688	206.3 Da LogP 0.60 TPSA 41.1	✓ Ro5	✓ Clean	`O=C1NC(=S)N[C@H]1Cc1ccccc1`
ZINC12341748 ZINC	0.686	222.6 Da LogP 1.52 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)/C(=C\c2cccc(Cl)c2)N1`
ZINC13413571 ZINC	0.683	257.3 Da LogP 0.71 TPSA 74.0	✓ Ro5	✓ Clean	`C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O`
ZINC247754165 ZINC	0.674	300.4 Da LogP 0.43 TPSA 100.0	✓ Ro5	✓ Clean	`NCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O`
ZINC34114304 ZINC	0.674	245.2 Da LogP 0.62 TPSA 94.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@H](Cc2c[nH]c3ccc(O)cc23)N1`
ZINC100662888 ZINC	0.667	204.2 Da LogP 0.57 TPSA 78.4	✓ Ro5	✓ Clean	`O=C1NC(=O)/C(=C/c2cccc(O)c2)N1`
ZINC12410471 ZINC	0.667	202.2 Da LogP 1.18 TPSA 58.2	✓ Ro5	✓ Clean	`Cc1cccc(/C=C2\NC(=O)NC2=O)c1`
ZINC13139308 ZINC	0.667	204.2 Da LogP 0.57 TPSA 78.4	✓ Ro5	✓ Clean	`O=C1NC(=O)/C(=C\c2cccc(O)c2)N1`
ZINC1875304352 ZINC	0.667	297.4 Da LogP 1.49 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1CC1CC1`
ZINC2069462964 ZINC	0.667	297.4 Da LogP 1.49 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@@H](CC2CC2)C(=O)N[C@H]1Cc1c[nH]c2ccccc12`
ZINC208759478 ZINC	0.667	319.4 Da LogP 2.07 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccc…`
ZINC208759513 ZINC	0.667	319.4 Da LogP 2.07 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@@H](c2ccccc2)C(=O)N[C@H]1Cc1c[nH]c2cccc…`
ZINC2819805 ZINC	0.667	218.2 Da LogP 0.21 TPSA 75.3	✓ Ro5	✓ Clean	`O=C1NC(=O)C(Cc2ccccc2)C(=O)N1`
ZINC39365597 ZINC	0.667	319.4 Da LogP 2.07 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@H](c2ccccc2)C(=O)N[C@H]1Cc1c[nH]c2ccccc…`
ZINC670451826 ZINC	0.667	283.3 Da LogP 1.10 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1C1CC1`
ZINC72182 ZINC	0.667	206.2 Da LogP 1.01 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)/C(=C\c2cccc(F)c2)N1`
ZINC828321135 ZINC	0.667	283.3 Da LogP 1.10 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@@H](C2CC2)C(=O)N[C@H]1Cc1c[nH]c2ccccc12`

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 A0A0H3GT37