KpATCC43816 Protein target profile

GTP-binding protein TypA/BipA

Accession: VK055_3293

Gene: typA AIK81854.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GLB7

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Length 607

Pocket druggability (P2Rank · AlphaFold DB model) 0.783

Direct ligand evidence 0 58 total records

Functional annotation 1 EC 11 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

Core gene across strains Marked as conserved by both pan-genome tools: Roary and CoreCruncher. Second pocket predictor agrees P2Rank predicted binding-site probability 0.78. Structure available AlphaFold DB model + ColabFold model Ligand evidence via structure/bioactivity 8 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 (%): 58.333 Lower values reduce human off-target concern.
Human E-value: 9.89e-12
Gut microbiome similarity: 63.6% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): Y
DEG identity (%): 54.139 Higher values support similarity to known essential genes.
DEG E-value: 0.0 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT: 88.75 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) 0.783

Structure A0A0H3GLB7

Pocket Pocket 1

Druggability (FPocket) 0.317

Structure A0A0H3GLB7

Pocket Pocket 24

ColabFold model

P2Rank 0.751 · Pocket 1

FPocket 0.688 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 3019 / 4744 genomes with a hit

Prevalence 63.6%

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.

MIENLRNIAIIAHVDHGKTTLVDKLLQQSGTFDARTEAQERVMDSNDLEKERGITILAKNTAIKWNDYRINIVDTPGHADFGGEVERVMSMVDSVLLVVDAFDGPMPQTRFVTKKAFAHGLKPIVVINKVDRPGARPDWVVDQVFDLFVNLDATDEQLDFPIVYASALNGIAGLDHEDMADDMTPLYQAIVDRVPAPDVDLDGPLQMQISQLDYNNYVGVIGIGRIKRGKVKPNQQVTIIDSEGKTRNGKVGKVLTHLGLERIESDVAEAGDIIAITGLGELNISDTICDPQNVEALPALSVDEPTVSMFFNVNTSPFCGKEGKFVTSRQILDRLNKELVHNVALRVEETEDADAFRVSGRGELHLSVLIENMRREGFEMAVSRPKVIFREIDGRKQEPFENVTLDVEEQHQGSVMQALGERKGDLKNMNPDGKGRVRLDYVIPSRGLIGFRSEFMTMTSGTGLLYSTFSHYDDVRPGEVGQRNNGVLISNGQGKAVAFALFGLQDRGKLFLGHGAEVYEGQIIGIHSRSNDLTVNCLTGKKLTNMRASGTDEATVLVPPVKMTLEQALEFIDDDELVEVTPTSIRIRKRHLTENDRKRAMRGAKEE

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 11 GO

Subcellular localization

Localization: CytoplasmicMembrane

Enzyme Commission (EC)

3.6.5.-

Gene Ontology (GO)

GO:0005525 Binding to GTP, guanosine triphosphate.
GO:0003924 Catalysis of the reaction: GTP + H2O = GDP + H+ + phosphate.
GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
GO:1990904 A macromolecular complex that contains both RNA and protein molecules.
GO:0097216 Binding to guanosine tetraphosphate (5'-ppGpp-3'), a guanosine bisphosphate having diphosphate groups at both the 3' and 5'-positions.
GO:0043022 Binding to a ribosome.
GO:0019843 Binding to a ribosomal RNA.
GO:0000049 Binding to a transfer RNA.
GO:0010467 The process in which a gene's sequence is converted into a mature gene product (protein or RNA). This includes the production of an RNA transcript and its processing, as well as translation and maturation for protein-coding genes.
GO:0009409 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a cold stimulus, a temperature stimulus below the optimal temperature for that organism.
GO:0000027 The aggregation, arrangement and bonding together of constituent RNAs and proteins to form the large ribosomal subunit.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

55 records

Show feature table

Start	End	DB	Term	Name
389	482	Gene3D	G3DSA:3.30.70.240	-
1	198	Gene3D	G3DSA:3.40.50.300	-
1	198	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase
3	173	PANTHER	PTHR42908	TRANSLATION ELONGATION FACTOR-RELATED
44	59	ProSitePatterns	PS00301	Translational (tr)-type guanine nucleotide-binding (G) domain signature.
44	59	InterPro	IPR031157	Tr-type G domain, conserved site
219	289	Pfam	PF03144	Elongation factor Tu domain 2
219	289	InterPro	IPR004161	Translation elongation factor EFTu-like, domain 2
305	383	CDD	cd16263	BipA_III
305	383	InterPro	IPR047043	GTP-binding protein BipA, domain 3
1	198	FunFam	G3DSA:3.40.50.300:FF:000055	GTP-binding protein TypA
199	299	FunFam	G3DSA:2.40.30.10:FF:000016	GTP-binding protein TypA
5	134	NCBIfam	TIGR00231	small GTP-binding protein domain
5	134	InterPro	IPR005225	Small GTP-binding protein domain
3	601	Hamap	MF_00849	50S ribosomal subunit assembly factor BipA [bipA].
3	601	InterPro	IPR006298	GTP-binding protein BipA
397	476	Pfam	PF00679	Elongation factor G C-terminus
397	476	InterPro	IPR000640	Elongation factor EFG, domain V-like
306	590	Gene3D	G3DSA:3.30.70.870	Elongation Factor G (Translational Gtpase), domain 3
87	98	PRINTS	PR00315	GTP-binding elongation factor signature
87	98	InterPro	IPR000795	Translational (tr)-type GTP-binding domain
123	132	PRINTS	PR00315	GTP-binding elongation factor signature
123	132	InterPro	IPR000795	Translational (tr)-type GTP-binding domain
71	81	PRINTS	PR00315	GTP-binding elongation factor signature
71	81	InterPro	IPR000795	Translational (tr)-type GTP-binding domain
51	59	PRINTS	PR00315	GTP-binding elongation factor signature
51	59	InterPro	IPR000795	Translational (tr)-type GTP-binding domain
7	20	PRINTS	PR00315	GTP-binding elongation factor signature
7	20	InterPro	IPR000795	Translational (tr)-type GTP-binding domain
302	387	SUPERFAMILY	SSF54980	EF-G C-terminal domain-like
302	387	InterPro	IPR035647	EF-G domain III/V-like
205	298	CDD	cd03691	BipA_TypA_II
205	298	InterPro	IPR047042	GTP-binding protein BipA, domain 2
4	197	CDD	cd01891	TypA_BipA
4	197	InterPro	IPR047041	GTP-binding protein BipA, GTP-binding domain
389	482	FunFam	G3DSA:3.30.70.240:FF:000002	GTP-binding protein TypA
151	299	SUPERFAMILY	SSF50447	Translation proteins
151	299	InterPro	IPR009000	Translation protein, beta-barrel domain superfamily
4	195	Pfam	PF00009	Elongation factor Tu GTP binding domain
4	195	InterPro	IPR000795	Translational (tr)-type GTP-binding domain
398	512	SUPERFAMILY	SSF54980	EF-G C-terminal domain-like
398	512	InterPro	IPR035647	EF-G domain III/V-like
483	599	Gene3D	G3DSA:2.40.50.250	bipa protein
483	599	InterPro	IPR042116	GTP-binding protein TypA/BipA, C-terminal
5	599	NCBIfam	TIGR01394	translational GTPase TypA/BipA
5	599	InterPro	IPR006298	GTP-binding protein BipA
306	404	FunFam	G3DSA:3.30.70.870:FF:000003	GTP-binding protein TypA
483	570	FunFam	G3DSA:2.40.50.250:FF:000001	GTP-binding protein TypA
398	476	CDD	cd03710	BipA_TypA_C
398	476	InterPro	IPR035651	BipA, domain V
2	207	SUPERFAMILY	SSF52540	P-loop containing nucleoside triphosphate hydrolases
2	207	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase
3	198	ProSiteProfiles	PS51722	Translational (tr)-type guanine nucleotide-binding (G) domain profile.
3	198	InterPro	IPR000795	Translational (tr)-type GTP-binding domain
199	299	Gene3D	G3DSA:2.40.30.10	Translation factors

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

0.783

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Surrounding area

Pocket 2 P2Rank #2

0.699

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Surrounding area

Pocket 3 P2Rank #3

0.122

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Surrounding area

Pocket 4 P2Rank #4

0.096

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Surrounding area

Pocket 5 P2Rank #5

0.086

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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 #24

0.317

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Surrounding area

Pocket 2 FPocket #30

0.23

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Surrounding area

Pocket 3 FPocket #43

0.214 Unusual size

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Surrounding area

Residue sets

UniProt: Binding site:128-131

UniProt: Binding site:15-20

Binding pockets · P2Rank

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

Pocket 1 P2Rank #1

0.751

Likely same site as FPocket 5 1.3 Å 18 shared residues 95% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.654

Likely same site as FPocket 1 2.6 Å 20 shared residues 100% of smaller site

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Surrounding area

Pocket 3 P2Rank #3

0.154

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Surrounding area

Pocket 4 P2Rank #4

0.123

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

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Surrounding area

Pocket 5 P2Rank #5

0.121

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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

0.688 Unusual size

Likely same site as P2Rank 2 2.6 Å 20 shared residues 100% of smaller site

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Surrounding area

Pocket 2 FPocket #5

0.389

Likely same site as P2Rank 1 1.3 Å 18 shared residues 95% of smaller site

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Surrounding area

Pocket 3 FPocket #51

0.251

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Surrounding area

Pocket 4 FPocket #3

0.236 Unusual size

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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_A0A0H3GLB7	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_3293	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.

58 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 8 records from similar proteins

Structural ligands 8 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

5MU PDB via homolog 338.2 Da · LogP -2.43 · TPSA 171.3 Open detail RCSB PDB

APR PDB via homolog Detail RCSB PDB

G4P PDB via homolog Detail RCSB PDB

GCP PDB via homolog Detail RCSB PDB

GNP 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
5MU RCSB PDB	5J8B	Q5SKA7	338.2 Da LogP -2.43 TPSA 171.3	✓ Ro5	✓ Clean	`CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)…`
APR RCSB PDB	1U2R	P32324	559.3 Da LogP -3.28 TPSA 291.5	3 viol.	✓ Clean	`c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…`
G4P RCSB PDB	4ZCM	P0A3B2	603.2 Da LogP -2.22 TPSA 345.6	3 viol.	✓ Clean	`c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O…`
GCP RCSB PDB	5A9W	P0A3B2	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	2YWF	O67618	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…`
MOU RCSB PDB	2NPF	P32324	690.8 Da LogP 4.50 TPSA 175.1	1 viol.	✓ Clean	`C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([…`
SO1 RCSB PDB	1N0U	P32324	494.6 Da LogP 2.49 TPSA 122.5	✓ Ro5	✓ Clean	`C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@H]4CC([C@@]3…`
SOD RCSB PDB	2E1R	P32324	519.1 Da LogP 4.85 TPSA 82.1	1 viol.	✓ Clean	`C[C@@H]1[C@@H](C[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[…`

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
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)[…`
ZINC12503703 ZINC	0.738	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	0.738	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…`
ZINC12503440 ZINC	0.719	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)…`
ZINC1530370 ZINC	0.719	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@H](OP(=O)(O)O)[…`
ZINC28631009 ZINC	0.719	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](OP(=O)(O)O)[…`
ZINC3872740 ZINC	0.719	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](OP(=O)(O)O)…`
ZINC3872741 ZINC	0.719	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](OP(=O)(O)O…`
ZINC3872742 ZINC	0.719	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](OP(=O)(O)O)…`
ZINC3872743 ZINC	0.719	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](OP(=O)(O)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…`
ZINC2046807 ZINC	0.681	258.2 Da LogP -2.54 TPSA 124.8	✓ Ro5	✓ Clean	`Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(=O)[n…`
ZINC2125635 ZINC	0.681	258.2 Da LogP -2.54 TPSA 124.8	✓ Ro5	✓ Clean	`Cc1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[…`
ZINC21999938 ZINC	0.681	258.2 Da LogP -2.54 TPSA 124.8	✓ Ro5	✓ Clean	`Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[n…`
ZINC2583634 ZINC	0.681	258.2 Da LogP -2.54 TPSA 124.8	✓ Ro5	✓ Clean	`Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[n…`
ZINC4028557 ZINC	0.681	258.2 Da LogP -2.54 TPSA 124.8	✓ Ro5	✓ Clean	`Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH…`
ZINC4557135 ZINC	0.681	258.2 Da LogP -2.54 TPSA 124.8	✓ Ro5	✓ Clean	`Cc1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[n…`
ZINC4557136 ZINC	0.681	258.2 Da LogP -2.54 TPSA 124.8	✓ Ro5	✓ Clean	`Cc1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[…`
ZINC4557137 ZINC	0.681	258.2 Da LogP -2.54 TPSA 124.8	✓ Ro5	✓ Clean	`Cc1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)…`
ZINC5765081 ZINC	0.681	258.2 Da LogP -2.54 TPSA 124.8	✓ Ro5	✓ Clean	`Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[…`
ZINC4602228 ZINC	0.667	288.3 Da LogP -3.18 TPSA 145.0	✓ Ro5	✓ Clean	`Cc1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2…`
ZINC4602229 ZINC	0.667	288.3 Da LogP -3.18 TPSA 145.0	✓ Ro5	✓ Clean	`Cc1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]…`
ZINC4602233 ZINC	0.667	288.3 Da LogP -3.18 TPSA 145.0	✓ Ro5	✓ Clean	`Cc1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]…`
ZINC4602235 ZINC	0.667	288.3 Da LogP -3.18 TPSA 145.0	✓ Ro5	✓ Clean	`Cc1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H…`
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…`
ZINC12501360 ZINC	0.657	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2OP…`
ZINC44430825 ZINC	0.648	492.6 Da LogP 2.41 TPSA 122.5	✓ Ro5	✓ Clean	`CO[C@H]1[C@@H](O)[C@H](O)[C@H](OC[C@@]23C[C@@H]…`
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(…`
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)…`

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 A0A0H3GLB7