Protein profile

VK055_3293

GTP-binding protein TypA/BipA

Genome: KpATCC43816

Gene: typA AIK81854.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GLB7

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Amino acids 607

Annotations 12

Features 55

PDB binders 8

Druggability 0.317

Overview

Basic information about this protein and its source genome.

Accession: VK055_3293
Assembly: Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene: typA AIK81854.1
Status: annotated
Amino acids: 607
Structure source: AlphaFold + ColabFold

3.6.5.-

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.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 58.333
Human E-value: 9.89e-12
Gut microbiome off-target: hit
Essential (DEG): Y
DEG identity (%): 54.139
DEG E-value: 0.0
Localization: CytoplasmicMembrane
ColabFold pLDDT: 88.75

Selected Druggability evidence

AlphaFold / UniProt model

Selected Druggability is the FPocket score chosen for ranking using the curated structure priority. The 3D viewer may show a different loaded structure, so its visible pockets can differ.

FPocket 0.317

Structure A0A0H3GLB7

Pocket Pocket 24

P2Rank 0.783

Structure A0A0H3GLB7

Pocket Pocket 1

ColabFold model

FPocket 0.688 · Pocket 1

P2Rank 0.751 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 3019 / 4744 genomes with a hit

Normalized 0.636

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 11 GO

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 Features

Domain/signature hits 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; predicted models typically cover the full protein.

Loading 3D structure...

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Structural evidence

0 + 2

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold AF_A0A0H3GLB7	AlphaFold	—	—	full sequence	—	Viewing
ColabFold VK055_3293	ColabFold	—	—	full sequence	—	Loaded

Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

Pockets (FPOCKET)

Showing top-ranked FPocket candidates by druggability. Druggability is color-coded: high (0.7 or higher), medium (0.4 to 0.69), low (below 0.4).

FPOCKET	Sticks	Spheres	Surfaces	Druggability	Labels	Zoom	Positions
43				0.214
25				0.015
28				0.002
13				0.001

Pockets (P2RANK)

Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).

P2RANK	Score	Probability
1	19.82	0.783
2	16.37	0.699
3	3.86	0.122
4	3.38	0.096
5	3.17	0.086

Pockets (FPOCKET)

Showing top-ranked FPocket candidates by druggability. Druggability is color-coded: high (0.7 or higher), medium (0.4 to 0.69), low (below 0.4).

FPOCKET	Sticks	Spheres	Surfaces	Druggability	Labels	Zoom	Positions
1				0.688
17				0.006
48				0.004
6				0.003

Pockets (P2RANK)

Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).

P2RANK	Score	Probability
1	18.42	0.751
2	14.85	0.654
3	4.43	0.154
4	3.87	0.123
5	3.83	0.121

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

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, 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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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.