Protein profile

PA0524

nitric oxide reductase subunit B

Genome: NC_002516.2

Gene: norB PA0524 Structure source: Experimental + AlphaFold UniProt Q59647

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Amino acids 466

Annotations 10

Features 50

PDB binders 5

Druggability 0.943

Overview

Basic information about this protein and its source genome.

Accession: PA0524
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: norB PA0524
Status: annotated
Amino acids: 466
Structure source: Experimental + AlphaFold

1.7.2.5

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:0004129 Catalysis of the reaction: 4 Fe(II)-[cytochrome c] + O2 + 8 H+(in) = 4 Fe(III)-[cytochrome c] + 2 H2O + 4 H+(out). GO:0020037 Binding to a heme, a compound composed of iron complexed in a porphyrin (tetrapyrrole) ring. GO:0046872 Binding to a metal ion. GO:0016966 Catalysis of the reaction: H2O + 2 ferricytochrome c + nitrous oxide = 2 H+ + 2 ferrocytochrome c + 2 nitric oxide. GO:0009060 The enzymatic release of energy from inorganic and organic compounds (especially carbohydrates and fats) which requires oxygen as the terminal electron acceptor.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Gut microbiome off-target: hit
Essential (DEG): N
Localization: CytoplasmicMembrane

Selected Druggability evidence

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 0.943

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 9 GO

Enzyme Commission (EC)

1.7.2.5

Gene Ontology (GO)

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:0004129 Catalysis of the reaction: 4 Fe(II)-[cytochrome c] + O2 + 8 H+(in) = 4 Fe(III)-[cytochrome c] + 2 H2O + 4 H+(out).
GO:0020037 Binding to a heme, a compound composed of iron complexed in a porphyrin (tetrapyrrole) ring.
GO:0046872 Binding to a metal ion.
GO:0016966 Catalysis of the reaction: H2O + 2 ferricytochrome c + nitrous oxide = 2 H+ + 2 ferrocytochrome c + 2 nitric oxide.
GO:0009060 The enzymatic release of energy from inorganic and organic compounds (especially carbohydrates and fats) which requires oxygen as the terminal electron acceptor.
GO:0019333 The reduction of nitrate to dinitrogen by four reduction reactions: nitrate reduced to nitrite, then to nitric oxide, then to nitrous oxide, and finally to dinitrogen.
GO:0022904 A process in which a series of electron carriers operate together to transfer electrons from donors such as NADH and FADH2 to any of several different terminal electron acceptors to generate a transmembrane electrochemical gradient.
GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.

Sequence Features

Domain/signature hits from InterPro and related databases.

50 records

Show feature table

Start	End	DB	Term	Name
239	262	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
389	415	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	19	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
191	201	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
12	459	SUPERFAMILY	SSF81442	Cytochrome c oxidase subunit I-like
12	459	InterPro	IPR036927	Cytochrome c oxidase-like, subunit I superfamily
2	465	Gene3D	G3DSA:1.20.210.10	-
2	465	InterPro	IPR036927	Cytochrome c oxidase-like, subunit I superfamily
58	80	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
330	348	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
263	267	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
20	43	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
116	141	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
173	453	PANTHER	PTHR10422	CYTOCHROME C OXIDASE SUBUNIT 1
173	453	InterPro	IPR000883	Cytochrome c oxidase subunit I
296	306	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
142	163	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
63	81	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
82	92	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
307	329	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
416	434	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
93	115	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
435	457	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	466	FunFam	G3DSA:1.20.210.10:FF:000010	Nitric oxide reductase subunit B
202	227	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
349	368	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
15	446	Pfam	PF00115	Cytochrome C and Quinol oxidase polypeptide I
15	446	InterPro	IPR000883	Cytochrome c oxidase subunit I
19	466	ProSiteProfiles	PS50855	Cytochrome oxidase subunit I profile.
19	466	InterPro	IPR023616	Cytochrome c oxidase-like, subunit I domain
389	411	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
168	190	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
240	262	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
437	459	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
170	190	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
272	294	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
93	115	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
141	163	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
44	62	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
164	169	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
205	227	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
369	388	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
228	238	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
307	329	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
21	43	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
458	466	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
349	368	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
268	295	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
203	259	ProSitePatterns	PS00077	Heme-copper oxidase catalytic subunit, copper B binding region signature.
203	259	InterPro	IPR023615	Cytochrome c oxidase, subunit I, copper-binding site

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

7 + 1

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

Entry	Method	Resolution	Chain	Coverage	Links	Status
PDB 3WFD	X-ray	2.30 Å	B	100.0% 1-466	PDBe RCSB PDBj File	Viewing
PDB 3WFE	X-ray	2.49 Å	B	100.0% 1-466	PDBe RCSB PDBj File	Loaded
PDB 3WFC	X-ray	2.50 Å	B	100.0% 1-466	PDBe RCSB PDBj File	Loaded
PDB 3O0R	X-ray	2.70 Å	B	100.0% 1-466	PDBe RCSB PDBj File	Loaded
PDB 3WFB	X-ray	2.70 Å	B	100.0% 1-466	PDBe RCSB PDBj File	Loaded
PDB 5GUW	X-ray	3.20 Å	B,D	100.0% 1-466	PDBe RCSB PDBj File	Loaded
PDB 5GUX	X-ray	3.30 Å	B	100.0% 1-466	PDBe RCSB PDBj File	Loaded
AlphaFold PA0524	AlphaFold	—	—	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
1				0.943
6				0.744

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	112.96	0.998
2	3.24	0.112
3	2.68	0.079
4	1.71	0.03
5	1.22	0.011

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				0.838

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

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.

Ligand	Source crystal	MW · LogP · TPSA	Lipinski	PAINS	SMILES
10M	3WFC 2.50 Å Open crystal	498.6 Da LogP -0.52 TPSA 169.3	2 viol.	✓ Clean	`CCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C…`
AXO	3WFD 2.30 Å Open crystal	59.1 Da LogP 0.47 TPSA 32.6	✓ Ro5	✓ Clean	`C/C=N/O`
CMO	3WFC 2.50 Å Open crystal	28.0 Da LogP -0.04 TPSA 19.9	✓ Ro5	✓ Clean	`[C-]#[O+]`
O	3O0R 2.70 Å Open crystal	18.0 Da LogP -0.82 TPSA 31.5	✓ Ro5	✓ Clean	`O`
XE	5GUX 3.30 Å Open crystal	131.3 Da LogP 0.00 TPSA 0.0	✓ Ro5	✓ Clean	`[Xe]`

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.

No PDB ligands found through similar proteins.

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
ZINC100053481	1.000	484.6 Da LogP -0.91 TPSA 169.3	2 viol.	✓ Clean	`CCCCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H…`
ZINC100057932	1.000	498.6 Da LogP -0.52 TPSA 169.3	2 viol.	✓ Clean	`CCCCCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@…`
ZINC100058001	1.000	470.6 Da LogP -1.30 TPSA 169.3	2 viol.	✓ Clean	`CCCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](…`
ZINC100796989	1.000	484.6 Da LogP -0.91 TPSA 169.3	2 viol.	✓ Clean	`CCCCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H]…`
ZINC14114498	1.000	498.6 Da LogP -0.52 TPSA 169.3	2 viol.	✓ Clean	`CCCCCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H…`
ZINC100056955	0.732	322.5 Da LogP 1.27 TPSA 90.2	✓ Ro5	✓ Clean	`CCCCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@…`
ZINC100056957	0.732	336.5 Da LogP 1.66 TPSA 90.2	✓ Ro5	✓ Clean	`CCCCCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C…`
ZINC100759478	0.732	308.4 Da LogP 0.88 TPSA 90.2	✓ Ro5	✓ Clean	`CCCCCCCCS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H…`
ZINC101659921	0.732	308.4 Da LogP 0.88 TPSA 90.2	✓ Ro5	✓ Clean	`CCCCCCCCS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]…`
ZINC16052385	0.732	294.4 Da LogP 0.49 TPSA 90.2	✓ Ro5	✓ Clean	`CCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]…`
ZINC6845558	0.732	308.4 Da LogP 0.88 TPSA 90.2	✓ Ro5	✓ Clean	`CCCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H…`
ZINC76945567	0.732	308.4 Da LogP 0.88 TPSA 90.2	✓ Ro5	✓ Clean	`CCCCCCCCS[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@…`
ZINC77293255	0.732	294.4 Da LogP 0.49 TPSA 90.2	✓ Ro5	✓ Clean	`CCCCCCCS[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H…`
ZINC77293258	0.732	294.4 Da LogP 0.49 TPSA 90.2	✓ Ro5	✓ Clean	`CCCCCCCS[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@…`
ZINC77293261	0.732	294.4 Da LogP 0.49 TPSA 90.2	✓ Ro5	✓ Clean	`CCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H…`
ZINC85479681	0.732	308.4 Da LogP 0.88 TPSA 90.2	✓ Ro5	✓ Clean	`CCCCCCCCS[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]…`
ZINC97943321	0.732	308.4 Da LogP 0.88 TPSA 90.2	✓ Ro5	✓ Clean	`CCCCCCCCS[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H…`
ZINC100053689	0.696	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H]…`
ZINC100053691	0.696	496.6 Da LogP -0.84 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H…`
ZINC1501015302	0.696	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H…`
ZINC2039285652	0.696	454.5 Da LogP -2.01 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](C…`
ZINC2039285653	0.696	454.5 Da LogP -2.01 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](C…`
ZINC2039285654	0.696	454.5 Da LogP -2.01 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](C…`
ZINC2039285655	0.696	454.5 Da LogP -2.01 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](C…`
ZINC2053493146	0.696	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H]…`
ZINC2053493147	0.696	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H]…`
ZINC2053493148	0.696	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H]…`
ZINC2053493149	0.696	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H]…`
ZINC238809244	0.696	510.6 Da LogP -0.45 TPSA 178.5	3 viol.	✓ Clean	`CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C…`
ZINC238809245	0.696	510.6 Da LogP -0.45 TPSA 178.5	3 viol.	✓ Clean	`CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C…`
ZINC252695223	0.696	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H…`
ZINC252695224	0.696	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H…`
ZINC252695225	0.696	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H…`
ZINC252695226	0.696	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H…`
ZINC58649715	0.696	496.6 Da LogP -0.84 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@…`
ZINC59978443	0.696	454.5 Da LogP -2.01 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](…`
ZINC66157001	0.696	468.5 Da LogP -1.62 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H]…`
ZINC70669940	0.696	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O[C@H]2O[C@…`
ZINC70669941	0.696	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O[C@H]2O[C@…`
ZINC70669942	0.696	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O[C@H]2O[C@…`
ZINC70669943	0.696	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O[C@H]2O[C@…`
ZINC77311968	0.696	454.5 Da LogP -2.01 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H]…`
ZINC83433913	0.696	426.5 Da LogP -2.79 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO…`
ZINC85482724	0.696	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H…`
ZINC86002923	0.696	426.5 Da LogP -2.79 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)…`
ZINC2383776699	0.619	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@H](O[C@H]2[C@H](CO)O[C@@H](O)[C@@…`
ZINC238809271	0.619	990.9 Da LogP -14.10 TPSA 506.1	3 viol.	✓ Clean	`OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]…`
ZINC238809273	0.619	990.9 Da LogP -14.10 TPSA 506.1	3 viol.	✓ Clean	`OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]…`
ZINC35262676	0.619	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@…`
ZINC5222455	0.619	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[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.