Protein profile

KP13_04229

Aquaporin Z

Genome: KpKP13

Gene: AHE45460.1 aqpZ Structure source: AlphaFold + ColabFold UniProt A0A0H3GUX7

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Amino acids 241

Annotations 6

Features 49

PDB binders 2

Druggability 0.945

Overview

Basic information about this protein and its source genome.

Accession: KP13_04229
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE45460.1 aqpZ
Status: annotated
Amino acids: 241
Structure source: AlphaFold + ColabFold

GO:0015267 Enables the energy-independent facilitated diffusion of a solute through a transmembrane aqueous pore or channel. Stereospecificity is not exhibited but this transport may be specific for a particular molecular species or class of molecules. GO:0006833 The directed movement of water (H2O) into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it. GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other. GO:0015250 Enables the energy-independent facilitated diffusion of water through a transmembrane aqueous pore or channel. GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 41.935
Human E-value: 9.32e-07
Gut microbiome off-target: hit
Essential (DEG): N
DEG identity (%): 0.0
Localization: CytoplasmicMembrane
ColabFold pLDDT: 97.52

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 0.945

Structure A0A0H3GUX7

Pocket Pocket 1

P2Rank 0.403

Structure A0A0H3GUX7

Pocket Pocket 1

ColabFold model

FPocket 0.566 · Pocket 2

P2Rank 0.318 · Pocket 1

Core conservation Accessory gene

Roary accessory

CoreCruncher accessory

Gut microbiome 155 / 4744 genomes with a hit

Normalized 0.033

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Gene Ontology (GO)

GO:0015267 Enables the energy-independent facilitated diffusion of a solute through a transmembrane aqueous pore or channel. Stereospecificity is not exhibited but this transport may be specific for a particular molecular species or class of molecules.
GO:0006833 The directed movement of water (H2O) into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
GO:0015250 Enables the energy-independent facilitated diffusion of water through a transmembrane aqueous pore or channel.
GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.

Sequence Features

Domain/signature hits from InterPro and related databases.

49 records

Show feature table

Start	End	DB	Term	Name
12	238	SUPERFAMILY	SSF81338	Aquaporin-like
12	238	InterPro	IPR023271	Aquaporin-like
1	19	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
13	236	CDD	cd00333	MIP
13	236	InterPro	IPR000425	Major intrinsic protein
160	170	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
177	199	PRINTS	PR00783	Major intrinsic protein family signature
177	199	InterPro	IPR000425	Major intrinsic protein
147	165	PRINTS	PR00783	Major intrinsic protein family signature
147	165	InterPro	IPR000425	Major intrinsic protein
13	32	PRINTS	PR00783	Major intrinsic protein family signature
13	32	InterPro	IPR000425	Major intrinsic protein
90	109	PRINTS	PR00783	Major intrinsic protein family signature
90	109	InterPro	IPR000425	Major intrinsic protein
216	236	PRINTS	PR00783	Major intrinsic protein family signature
216	236	InterPro	IPR000425	Major intrinsic protein
53	77	PRINTS	PR00783	Major intrinsic protein family signature
53	77	InterPro	IPR000425	Major intrinsic protein
12	240	Hamap	MF_01146	Aquaporin Z [aqpZ].
12	240	InterPro	IPR023743	Aquaporin Z
91	113	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
44	64	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
139	159	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
114	138	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
17	233	NCBIfam	TIGR00861	MIP family channel protein
17	233	InterPro	IPR000425	Major intrinsic protein
20	38	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
237	241	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
9	241	Gene3D	G3DSA:1.20.1080.10	Glycerol uptake facilitator protein.
9	241	InterPro	IPR023271	Aquaporin-like
39	43	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
215	237	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
191	215	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
65	90	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
166	188	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
171	190	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
11	239	PANTHER	PTHR19139	AQUAPORIN TRANSPORTER
11	239	InterPro	IPR034294	Aquaporin transporter
137	159	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	30	ProSiteProfiles	PS51257	Prokaryotic membrane lipoprotein lipid attachment site profile.
11	241	FunFam	G3DSA:1.20.1080.10:FF:000007	Aquaporin Z
43	65	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
71	79	ProSitePatterns	PS00221	MIP family signature.
71	79	InterPro	IPR022357	Major intrinsic protein, conserved site
216	236	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
91	113	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
9	233	Pfam	PF00230	Major intrinsic protein
9	233	InterPro	IPR000425	Major intrinsic protein
20	39	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; 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_A0A0H3GUX7	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_04229	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
1				0.945
5				0.757
7				0.35

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	4.99	0.226
2	4.79	0.212
3	1.69	0.029

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
2				0.566

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	4.63	0.201
2	4.24	0.174
3	0.77	0.002

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.

63 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
3PE	3M9I	Q6J8I9	748.1 Da LogP 12.06 TPSA 134.4	2 viol.	✓ Clean	`CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC…`
PS6	3D9S	P55064	567.7 Da LogP 5.27 TPSA 171.7	2 viol.	✓ Clean	`CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@H…`

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
AZM	P55088	—	222.3 Da LogP -0.86 TPSA 115.0	✓ Ro5	✓ Clean	`CC(=O)Nc1nnc(s1)S(=O)(=O)N`
CHEMBL121	P41181	—	357.4 Da LogP 2.49 TPSA 71.5	✓ Ro5	✓ Clean	`CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1`
CHEMBL128	P55088	—	295.4 Da LogP 1.32 TPSA 65.2	✓ Ro5	✓ Clean	`CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1`
CHEMBL16	P55088	—	252.3 Da LogP 1.77 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1`
CHEMBL536151	P55087	—	383.7 Da LogP 5.34 TPSA 49.3	1 viol.	✓ Clean	`O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O`
CHEMBL687	P55088	—	214.2 Da LogP 0.29 TPSA 89.3	✓ Ro5	✓ Clean	`CC(=O)Nc1ccc(S(N)(=O)=O)cc1`
CHEMBL741	P55088	—	256.1 Da LogP 2.01 TPSA 90.7	✓ Ro5	✓ Clean	`Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1`
EZL	P55088	—	258.3 Da LogP 1.34 TPSA 82.3	✓ Ro5	✓ Clean	`CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N`
FOK	P41181	—	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`CC(=O)O[C@H]1[C@H]([C@H]2C(CC[C@@H]([C@@]2([C@@…`
TOR	P55088	—	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C…`
ZON	P55087	—	212.2 Da LogP 0.62 TPSA 86.2	✓ Ro5	✓ Clean	`c1ccc2c(c1)c(no2)CS(=O)(=O)N`

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
ZINC102190506	1.000	467.5 Da LogP 4.25 TPSA 134.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CC…`
ZINC102190512	1.000	467.5 Da LogP 4.25 TPSA 134.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)C…`
ZINC13156	1.000	256.1 Da LogP 2.01 TPSA 90.7	✓ Ro5	✓ Clean	`Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1`
ZINC134036	1.000	214.2 Da LogP 0.29 TPSA 89.3	✓ Ro5	✓ Clean	`CC(=O)Nc1ccc(S(N)(=O)=O)cc1`
ZINC13612334	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@H]2CO[C@]3(COS(N)(=O)=O)OC(C)(C)O[C@@…`
ZINC13783471	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@H](OC(C)…`
ZINC13783493	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@@H]2CO[C@]3(COS(N)(=O)=O)OC(C)(C)O[C@…`
ZINC14360	1.000	295.4 Da LogP 1.32 TPSA 65.2	✓ Ro5	✓ Clean	`CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1`
ZINC144827766	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@@](C)(O1)[C@@H](O…`
ZINC1543366	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@…`
ZINC23586802	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@…`
ZINC248102933	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@]1(C)CC(=O)[C@@]2(O)[C@]3(C)[C@@H](O)CCC(…`
ZINC248102936	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@]1(C)CC(=O)[C@@]2(O)[C@]3(C)[C@H](O)CCC(C…`
ZINC2510358	1.000	252.3 Da LogP 1.77 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1`
ZINC36385190	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@H](OC(C)…`
ZINC3813042	1.000	222.3 Da LogP -0.86 TPSA 115.0	✓ Ro5	✓ Clean	`CC(=O)Nc1nnc(S(N)(=O)=O)s1`
ZINC3831557	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C…`
ZINC3831559	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@@H]2CO[C@]3(COS(N)(=O)=O)OC(C)(C)O[C@…`
ZINC3872620	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@H](OC(…`
ZINC3872621	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC…`
ZINC3872622	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@H](OC(…`
ZINC3872623	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC…`
ZINC3977779	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC…`
ZINC4321	1.000	212.2 Da LogP 0.62 TPSA 86.2	✓ Ro5	✓ Clean	`NS(=O)(=O)Cc1noc2ccccc12`
ZINC43574047	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@@H]2[C@@H]3OC(C)(C)O[C@@]3(COS(N)(=O)…`
ZINC4544736	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@]1(C)CC(=O)[C@]2(O)[C@@](C)(O1)[C@H](OC(C…`
ZINC56721	1.000	258.3 Da LogP 1.34 TPSA 82.3	✓ Ro5	✓ Clean	`CCOc1ccc2nc(S(N)(=O)=O)sc2c1`
ZINC56863626	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@H]2[C@@H](CO[C@]3(COS(N)(=O)=O)OC(C)(…`
ZINC71789673	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@@H](OC(…`
ZINC71789674	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@@H](OC(…`
ZINC95616603	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C…`
ZINC96085732	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@@H]2[C@@H]3OC(C)(C)O[C@]3(COS(N)(=O)=…`
ZINC968328	1.000	357.4 Da LogP 2.49 TPSA 71.5	✓ Ro5	✓ Clean	`CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1`
ZINC968330	1.000	357.4 Da LogP 2.49 TPSA 71.5	✓ Ro5	✓ Clean	`CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccccn1`
ZINC27416437	0.976	411.4 Da LogP 2.69 TPSA 134.4	✓ Ro5	✓ Clean	`CCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCC`
ZINC33902364	0.976	411.4 Da LogP 2.69 TPSA 134.4	✓ Ro5	✓ Clean	`CCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCC…`
ZINC12970899	0.889	290.3 Da LogP 1.96 TPSA 89.3	✓ Ro5	✓ Clean	`CC(=O)Nc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1`
ZINC2382316250	0.887	452.5 Da LogP 2.09 TPSA 119.4	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@@H](OC(…`
ZINC27553862	0.887	452.5 Da LogP 2.09 TPSA 119.4	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC…`
ZINC13111092	0.852	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)…`
ZINC2069563917	0.852	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@@H](O)[…`
ZINC71766833	0.852	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)…`
ZINC6116337	0.815	270.3 Da LogP 1.91 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@](c2ccccc2)(c2ccc(F)cc2)N1`
ZINC6116537	0.815	270.3 Da LogP 1.91 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@@](c2ccccc2)(c2ccc(F)cc2)N1`
ZINC2165131	0.800	369.4 Da LogP 1.09 TPSA 135.4	✓ Ro5	✓ Clean	`CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1`
ZINC242063	0.800	333.4 Da LogP 1.54 TPSA 118.4	✓ Ro5	✓ Clean	`CC(=O)Nc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1`
ZINC114897182	0.788	495.7 Da LogP 3.50 TPSA 84.2	✓ Ro5	Alert	`CNS(=O)(=O)Cc1ccc2[nH]c(Cc3ccc4[nH]cc(CCN(C)C)c…`
ZINC22061272	0.787	355.4 Da LogP -1.42 TPSA 135.8	✓ Ro5	✓ Clean	`CC1(C)O[C@H]2[C@@H]3O[C@](C)(CO)O[C@@H]3CO[C@@]…`
ZINC119642	0.786	268.3 Da LogP 1.48 TPSA 78.4	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@](c2ccccc2)(c2ccc(O)cc2)N1`
ZINC2048546	0.786	286.7 Da LogP 2.42 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@](c2ccccc2)(c2ccc(Cl)cc2)N1`

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.