KpATCC43816 Protein target profile

translation elongation factor G

Accession: VK055_5050

Gene: AIK83576.1 fusA2 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3H0I2

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Length 700

Pocket druggability (P2Rank · AlphaFold DB model) 0.646

Direct ligand evidence 0 54 total records

Functional annotation 0 EC 7 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

Moderate predicted binding pocket FPocket selected-pocket score 0.56. This supports review but is not experimental validation. Second pocket predictor agrees P2Rank predicted binding-site probability 0.65. Structure available AlphaFold DB model + ColabFold model Ligand evidence via structure/bioactivity 3 structural and 1 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 (%): 60.0 Lower values reduce human off-target concern.
Human E-value: 2.29e-14
Gut microbiome similarity: 77.2% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): Y
DEG identity (%): 71.714 Higher values support similarity to known essential genes.
DEG E-value: 0.0 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT: 90.65 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) 0.646

Structure A0A0H3H0I2

Pocket Pocket 1

Druggability (FPocket) 0.557

Structure A0A0H3H0I2

Pocket Pocket 4

ColabFold model

P2Rank 0.518 · Pocket 1

FPocket 0.765 · Pocket 36

Core conservation Accessory gene

Roary core

CoreCruncher accessory

Gut microbiome 3663 / 4744 genomes with a hit

Prevalence 77.2%

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.

MPRPIPLERYRNIGISAHIDAGKTTTTERILFYTGMSHKLGEVHDGAATTDWMAQEQERGITITSAAVSCFWPGMDRSFEPHRINIIDTPGHVDFTIEVERSMRVLDGAVMVYDSVGGVQPQSETVWRQANKYHVPRLAFVNKMDRPGADFFRVVQMMIDRLKANPVPIVIPIGAEEHFTGVVDLVKMRAILWDDATQGMTFSYGPVPDDLLATAQQWREKMVSAAAEASDELMDKYLETGELDEAEIVAGLRQRTVKGEIQAVLCGSAFKNKGVQRMLDAVVELMPSPLDIPAIQGVDEQGQPAERHPSDDEPLSALAFKLMTDPYVGQLTFIRVYSGTLKKGDAVWNPVKGKKERIGRIVLMQANDRHEVDELHAGDIAACVGLKDVTTGDTLCDPDAVITLERMEFPEPVISLAIEPKTKADQEKMGIALQRLAAEDPSFRLHTDEESGQTIISGMGELHLEIIVDRMKREFGVEANIGRPQVTYRETLRKKVTDVEGKFVRQSGGKGQYGHVVLTLEPLAPGSGFVFEDATKGGVVPREYIPSVEKGLREAMGTGVLAGYPVVDVKATLTFGSYHDVDSSEMAFRMAAIFGFREGARKADPVILEPVMHVEVETPEEYAGNIMGDLSSRRGMVQGMEERFGSQIIRADVPLAEMFGYSTTLRSMSQGRATYSMEFHHYAEAPRNVADEIIASRAKS

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

7 GO

Subcellular localization

Localization: Cytoplasmic

Gene Ontology (GO)

GO:0003746 Functions in chain elongation during polypeptide synthesis at the ribosome.
GO:0005525 Binding to GTP, guanosine triphosphate.
GO:0006414 The successive addition of amino acid residues to a nascent polypeptide chain during protein biosynthesis.
GO:0003924 Catalysis of the reaction: GTP + H2O = GDP + H+ + phosphate.
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0097216 Binding to guanosine tetraphosphate (5'-ppGpp-3'), a guanosine bisphosphate having diphosphate groups at both the 3' and 5'-positions.
GO:0032790 The disaggregation of a ribosome into its constituent components; includes the dissociation of ribosomal subunits.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

65 records

Show feature table

Start	End	DB	Term	Name
607	692	Pfam	PF00679	Elongation factor G C-terminus
607	692	InterPro	IPR000640	Elongation factor EFG, domain V-like
609	686	CDD	cd03713	EFG_mtEFG_C
609	686	InterPro	IPR035649	EFG, domain V
9	187	NCBIfam	TIGR00231	small GTP-binding protein domain
9	187	InterPro	IPR005225	Small GTP-binding protein domain
490	622	FunFam	G3DSA:3.30.230.10:FF:000003	Elongation factor G
12	289	CDD	cd01886	EF-G
413	489	FunFam	G3DSA:3.30.70.870:FF:000001	Elongation factor G
297	412	FunFam	G3DSA:2.40.30.10:FF:000006	Elongation factor G
1	299	Gene3D	G3DSA:3.40.50.300	-
1	299	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase
484	603	Pfam	PF03764	Elongation factor G, domain IV
484	603	InterPro	IPR005517	Translation elongation factor EFG/EF2, domain IV
6	697	Hamap	MF_00054_B	Elongation factor G [fusA].
6	697	InterPro	IPR004540	Translation elongation factor EFG/EF2
300	411	Gene3D	G3DSA:2.40.30.10	Translation factors
6	288	SUPERFAMILY	SSF52540	P-loop containing nucleoside triphosphate hydrolases
6	288	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase
137	146	PRINTS	PR00315	GTP-binding elongation factor signature
137	146	InterPro	IPR000795	Translational (tr)-type GTP-binding domain
58	66	PRINTS	PR00315	GTP-binding elongation factor signature
58	66	InterPro	IPR000795	Translational (tr)-type GTP-binding domain
85	95	PRINTS	PR00315	GTP-binding elongation factor signature
85	95	InterPro	IPR000795	Translational (tr)-type GTP-binding domain
12	25	PRINTS	PR00315	GTP-binding elongation factor signature
12	25	InterPro	IPR000795	Translational (tr)-type GTP-binding domain
101	112	PRINTS	PR00315	GTP-binding elongation factor signature
101	112	InterPro	IPR000795	Translational (tr)-type GTP-binding domain
410	485	CDD	cd16262	EFG_III
410	485	InterPro	IPR009022	Elongation factor G, domain III
329	396	Pfam	PF03144	Elongation factor Tu domain 2
329	396	InterPro	IPR004161	Translation elongation factor EFTu-like, domain 2
9	288	Pfam	PF00009	Elongation factor Tu GTP binding domain
9	288	InterPro	IPR000795	Translational (tr)-type GTP-binding domain
409	482	Pfam	PF14492	Elongation Factor G, domain III
409	482	InterPro	IPR041095	Elongation Factor G, domain II
485	604	SMART	SM00889	EFG_IV_2
485	604	InterPro	IPR005517	Translation elongation factor EFG/EF2, domain IV
606	693	SMART	SM00838	EFG_C_a
606	693	InterPro	IPR000640	Elongation factor EFG, domain V-like
315	397	CDD	cd04088	EFG_mtEFG_II
609	696	SUPERFAMILY	SSF54980	EF-G C-terminal domain-like
609	696	InterPro	IPR035647	EF-G domain III/V-like
489	694	Gene3D	G3DSA:3.30.230.10	-
489	694	InterPro	IPR014721	Ribosomal protein S5 domain 2-type fold, subgroup
610	680	Gene3D	G3DSA:3.30.70.240	-
8	290	ProSiteProfiles	PS51722	Translational (tr)-type guanine nucleotide-binding (G) domain profile.
8	290	InterPro	IPR000795	Translational (tr)-type GTP-binding domain
610	680	FunFam	G3DSA:3.30.70.240:FF:000001	Elongation factor G
1	697	NCBIfam	TIGR00484	elongation factor G
1	697	InterPro	IPR004540	Translation elongation factor EFG/EF2
4	697	PANTHER	PTHR43261	TRANSLATION ELONGATION FACTOR G-RELATED
1	299	FunFam	G3DSA:3.40.50.300:FF:000029	Elongation factor G
271	409	SUPERFAMILY	SSF50447	Translation proteins
271	409	InterPro	IPR009000	Translation protein, beta-barrel domain superfamily
51	66	ProSitePatterns	PS00301	Translational (tr)-type guanine nucleotide-binding (G) domain signature.
51	66	InterPro	IPR031157	Tr-type G domain, conserved site
412	485	Gene3D	G3DSA:3.30.70.870	Elongation Factor G (Translational Gtpase), domain 3
484	605	SUPERFAMILY	SSF54211	Ribosomal protein S5 domain 2-like
484	605	InterPro	IPR020568	Ribosomal protein S5 domain 2-type fold
488	603	CDD	cd01434	EFG_mtEFG1_IV
488	603	InterPro	IPR005517	Translation elongation factor EFG/EF2, domain IV
407	485	SUPERFAMILY	SSF54980	EF-G C-terminal domain-like
407	485	InterPro	IPR035647	EF-G domain III/V-like

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

0.646

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Surrounding area

Pocket 2 P2Rank #2

0.463

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Surrounding area

Pocket 3 P2Rank #3

0.349

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Surrounding area

Pocket 4 P2Rank #4

0.34

Likely same site as FPocket 4 0.5 Å 12 shared residues 92% of smaller site

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Surrounding area

Pocket 5 P2Rank #5

0.136

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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 #4

0.557

Likely same site as P2Rank 4 0.5 Å 12 shared residues 92% of smaller site

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Surrounding area

Residue sets

UniProt: Binding site:142-145

UniProt: Binding site:17-24

UniProt: Binding site:88-92

Binding pockets · P2Rank

Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Pocket 1 P2Rank #1

0.518

Likely same site as FPocket 11 3.9 Å 16 shared residues 76% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.454

Likely same site as FPocket 16 4.0 Å 12 shared residues 100% of smaller site

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Surrounding area

Pocket 3 P2Rank #3

0.306

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Surrounding area

Pocket 4 P2Rank #4

0.196

Likely same site as FPocket 36 4.1 Å 13 shared residues 93% of smaller site

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Surrounding area

Pocket 5 P2Rank #5

0.118

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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 #36

0.765

Likely same site as P2Rank 4 4.1 Å 13 shared residues 93% of smaller site

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Surrounding area

Pocket 2 FPocket #11

0.31 Unusual size

Likely same site as P2Rank 1 3.9 Å 16 shared residues 76% of smaller site

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Surrounding area

Pocket 3 FPocket #16

0.273

Likely same site as P2Rank 2 4.0 Å 12 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_A0A0H3H0I2	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_5050	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.

54 records

Chemistry signal

Structural and bioactivity evidence are both available for this target.

Direct evidence 0 same-protein records

Transferred evidence 4 records from similar proteins

Structural ligands 3 0 loaded crystals

Measured bioactivity 1 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

FUA PDB via homolog 516.7 Da · LogP 5.67 · TPSA 104.1 Open detail RCSB PDB

GCP PDB via homolog Detail RCSB PDB

GNP PDB via homolog Detail RCSB PDB

CHEMBL1256987 ChEMBL via homolog Detail ChEMBL

ZINC104869865 ZINC proposed compound · Tanimoto 0.850 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
FUA RCSB PDB	4V7B	P0A6M8	516.7 Da LogP 5.67 TPSA 104.1	2 viol.	✓ Clean	`C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[…`
GCP RCSB PDB	4V9O	P0A6M8	521.2 Da LogP -2.22 TPSA 289.9	3 viol.	✓ Clean	`c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O…`
GNP RCSB PDB	4V9J	Q5SHN5	522.2 Da LogP -2.76 TPSA 301.9	3 viol.	✓ Clean	`c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
CHEMBL1256987 ChEMBL	P68790	—	538.7 Da LogP 1.34 TPSA 106.9	1 viol.	✓ Clean	`CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[…`

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
ZINC104869865 ZINC	0.850	443.2 Da LogP -2.45 TPSA 252.6	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O…`
ZINC12504289 ZINC	0.850	443.2 Da LogP -2.45 TPSA 252.6	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…`
ZINC34541308 ZINC	0.850	443.2 Da LogP -2.45 TPSA 252.6	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…`
ZINC35000839 ZINC	0.850	443.2 Da LogP -2.45 TPSA 252.6	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(…`
ZINC45284491 ZINC	0.850	443.2 Da LogP -2.45 TPSA 252.6	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(…`
ZINC80639694 ZINC	0.850	443.2 Da LogP -2.45 TPSA 252.6	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…`
ZINC8215481 ZINC	0.850	443.2 Da LogP -2.45 TPSA 252.6	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…`
ZINC12501413 ZINC	0.783	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)…`
ZINC12958448 ZINC	0.783	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[…`
ZINC1532555 ZINC	0.783	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[…`
ZINC16546189 ZINC	0.783	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[…`
ZINC2159505 ZINC	0.783	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)…`
ZINC3073318 ZINC	0.783	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)…`
ZINC3869963 ZINC	0.783	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)…`
ZINC3869965 ZINC	0.783	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O…`
ZINC9334496 ZINC	0.783	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[…`
ZINC71774763 ZINC	0.681	432.3 Da LogP -2.23 TPSA 198.3	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)(O)N3CCOCC3…`
ZINC4743771 ZINC	0.662	361.3 Da LogP -2.70 TPSA 182.6	1 viol.	✓ Clean	`CS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc…`
ZINC4743772 ZINC	0.662	361.3 Da LogP -2.70 TPSA 182.6	1 viol.	✓ Clean	`CS(=O)(=O)OC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)n…`
ZINC4743774 ZINC	0.662	361.3 Da LogP -2.70 TPSA 182.6	1 viol.	✓ Clean	`CS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc…`
ZINC4743775 ZINC	0.662	361.3 Da LogP -2.70 TPSA 182.6	1 viol.	✓ Clean	`CS(=O)(=O)OC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)n…`
ZINC12503703 ZINC	0.647	427.2 Da LogP -1.42 TPSA 232.3	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@@H](CO[P@@](=O)(…`
ZINC8215878 ZINC	0.647	427.2 Da LogP -1.42 TPSA 232.3	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO[P@@](=O)(O…`
ZINC100058967 ZINC	0.642	443.2 Da LogP -2.45 TPSA 252.6	2 viol.	✓ Clean	`Nc1nc(=O)c2ncn([C@H]3O[C@H](CO[P@](=O)(O)OP(=O)…`
ZINC12504287 ZINC	0.642	443.2 Da LogP -2.45 TPSA 252.6	2 viol.	✓ Clean	`Nc1nc(=O)c2ncn([C@@H]3O[C@@H](CO[P@@](=O)(O)OP(…`
ZINC12504288 ZINC	0.642	443.2 Da LogP -2.45 TPSA 252.6	2 viol.	✓ Clean	`Nc1nc(=O)c2ncn([C@H]3O[C@@H](CO[P@@](=O)(O)OP(=…`
ZINC31308647 ZINC	0.642	443.2 Da LogP -2.45 TPSA 252.6	2 viol.	✓ Clean	`Nc1nc(=O)c2ncn([C@@H]3O[C@@H](CO[P@@](=O)(O)OP(…`
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`
ZINC1532637 ZINC	0.639	283.2 Da LogP -2.69 TPSA 159.5	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c…`
ZINC1550030 ZINC	0.639	283.2 Da LogP -2.69 TPSA 159.5	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c…`
ZINC1570863 ZINC	0.639	283.2 Da LogP -2.69 TPSA 159.5	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(…`
ZINC1698205 ZINC	0.639	283.2 Da LogP -2.69 TPSA 159.5	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c…`
ZINC2020098 ZINC	0.639	283.2 Da LogP -2.69 TPSA 159.5	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(…`
ZINC38580950 ZINC	0.639	282.3 Da LogP -2.72 TPSA 165.3	✓ Ro5	✓ Clean	`NC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O…`
ZINC3869967 ZINC	0.639	283.2 Da LogP -2.69 TPSA 159.5	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c…`
ZINC3869968 ZINC	0.639	283.2 Da LogP -2.69 TPSA 159.5	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)…`
ZINC3869969 ZINC	0.639	283.2 Da LogP -2.69 TPSA 159.5	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)…`
ZINC3869970 ZINC	0.639	283.2 Da LogP -2.69 TPSA 159.5	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O…`
ZINC4990799 ZINC	0.639	282.3 Da LogP -2.72 TPSA 165.3	✓ Ro5	✓ Clean	`NC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O…`
ZINC4990800 ZINC	0.639	282.3 Da LogP -2.72 TPSA 165.3	✓ Ro5	✓ Clean	`NC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](…`
ZINC4990801 ZINC	0.639	282.3 Da LogP -2.72 TPSA 165.3	✓ Ro5	✓ Clean	`NC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](…`
ZINC4990802 ZINC	0.639	282.3 Da LogP -2.72 TPSA 165.3	✓ Ro5	✓ Clean	`NC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H]…`
ZINC5605239 ZINC	0.639	283.2 Da LogP -2.69 TPSA 159.5	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c…`
ZINC6119283 ZINC	0.639	283.2 Da LogP -2.69 TPSA 159.5	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(…`
ZINC6585367 ZINC	0.639	283.2 Da LogP -2.69 TPSA 159.5	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)…`
ZINC8613125 ZINC	0.639	283.2 Da LogP -2.69 TPSA 159.5	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c…`
ZINC97973759 ZINC	0.639	282.3 Da LogP -2.72 TPSA 165.3	✓ Ro5	✓ Clean	`NC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O…`
ZINC97973760 ZINC	0.639	282.3 Da LogP -2.72 TPSA 165.3	✓ Ro5	✓ Clean	`NC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](…`

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 A0A0H3H0I2

Chemistry

ChEMBL CHEMBL1256987