Protein profile

PA1181

sensor protein

Genome: NC_002516.2

Gene: PA1181 Structure source: AlphaFold UniProt Q9I4F7

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Amino acids 1120

Annotations 4

Features 107

PDB binders 3

Druggability 0.865

Overview

Basic information about this protein and its source genome.

Accession: PA1181
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1181
Status: annotated
Amino acids: 1120
Structure source: AlphaFold

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:0052621 Catalysis of the reaction: 2 GTP = cyclic di-3',5'-guanylate + 2 diphosphate + 2 H+. GO:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule. GO:0005515 Binding to a protein.

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 0.865

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MFSGKTDDRGLWAGIQAGVLFFLAALACIYLSRQPATIAAIWLPNAILTAALLRAPLRQWPAILLCSAVANLAANRLYGDSLWMSAAFLPANLSEAIFAAMLLRINRVREDFEFNLHSAVRVLWAGALIPPLLGASVGAVLVSVFGMGRFPEMWARWYVGDAMGMLALLPLCMASNLAAWRHALSGRAGVDNAMLLLVTLVISFVALTRLPYAFIYVLLPLLVAAASTSVFGTALIGCLNTCFIAVLIALGVFLPESSQQRFGEPLLYLPMALTLIPAFLVSVIMERSRREQHQVAIGEAQFRGAMEFSAIGMALVSLEGRLFKVNEALCRMLGYSAERLGELSFQEITYVDDLELDLDLVRDLLAGRINSYQMEKRYLRQDGETFWARISVSLVRDEEGVAQYFVTQVEDIDSRKRAELERERLAERIKLATDAGQIGIWEWDLARNRLHWDFRMFDLYGIRSGPGETTVEQWKASLHAEDHDRVLRELERAVSGLQKFDCEFRIVRPNREVRHLRAIATLTRDADNRPVRMIGINSDITEIRTLAETLHEEKERLQVTLYSIGDAVLTTDAGGRVTFMNPVAEAMTGWTLQDAIGAPHELVFNVLDSDTGEALESPVRRCLQNTRVFYLEDGATLISRKGEQHDIQNCAAPVRTRDGEIIGTVLVFQNVTKARAMQRELSYHASHDALTGLFNRTKFEEELQRALANAQERATQHALCFIDLDRFKVVNDSAGHAAGDMLLRELSRILADRTRASDTLARLGGDEFGLLLFDCDLAEAEQVASKLIEQICSVRFPWEGRLYDVGASIGITALTATSRSTSELMSQADVACYAAKHAGRNRVSVYQFGHEEVERQHRDILLASGLREALENDRFQLQAQEIVPVGPRRDGDRHYELLLRLYDPDGQMTPPGAFIPAAERFNLMASIDRWVINEALINFGARIAAVEGLSIGINLSGNSLNDPLFLPYLLDRIEHSPLRPERLYFELTETALMNQLSVASRIVAKLRDLGCKVALDDFGSGLSSFNYLKNFVVDVIKIDGSFVRNLDKSPVDQAIVDSINQIAHRLGAVTVAEFVESREILDHLARLGVDFAQGYAVGRPQPFATVLDQLRSGLRRQELG

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

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:0052621 Catalysis of the reaction: 2 GTP = cyclic di-3',5'-guanylate + 2 diphosphate + 2 H+.
GO:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule.
GO:0005515 Binding to a protein.

Sequence Features

Domain/signature hits from InterPro and related databases.

107 records

Show feature table

Start	End	DB	Term	Name
309	412	CDD	cd00130	PAS
286	1120	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
555	624	SMART	SM00091	pas_2
555	624	InterPro	IPR000014	PAS domain
300	366	SMART	SM00091	pas_2
300	366	InterPro	IPR000014	PAS domain
427	495	SMART	SM00091	pas_2
427	495	InterPro	IPR000014	PAS domain
674	848	Gene3D	G3DSA:3.30.70.270	-
674	848	InterPro	IPR043128	Reverse transcriptase/Diguanylate cyclase domain
181	191	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
62	78	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
39	61	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
56	61	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
255	265	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
81	103	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
631	683	ProSiteProfiles	PS50113	PAC domain profile.
631	683	InterPro	IPR000700	PAS-associated, C-terminal
10	32	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
193	215	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
372	424	ProSiteProfiles	PS50113	PAC domain profile.
372	424	InterPro	IPR000700	PAS-associated, C-terminal
439	540	CDD	cd00130	PAS
439	540	InterPro	IPR000014	PAS domain
12	32	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
146	156	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
296	435	Gene3D	G3DSA:3.30.450.20	PAS domain
266	285	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
104	122	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
192	219	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
544	672	Gene3D	G3DSA:3.30.450.20	PAS domain
498	543	Gene3D	G3DSA:2.10.70.100	-
220	230	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
84	103	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
500	552	ProSiteProfiles	PS50113	PAC domain profile.
500	552	InterPro	IPR000700	PAS-associated, C-terminal
553	626	ProSiteProfiles	PS50112	PAS repeat profile.
553	626	InterPro	IPR000014	PAS domain
280	426	PANTHER	PTHR44757	DIGUANYLATE CYCLASE DGCP
866	1104	CDD	cd01948	EAL
866	1104	InterPro	IPR001633	EAL domain
866	1100	Pfam	PF00563	EAL domain
866	1100	InterPro	IPR001633	EAL domain
415	435	Coils	Coil	Coil
859	1114	ProSiteProfiles	PS50883	EAL domain profile.
859	1114	InterPro	IPR001633	EAL domain
33	37	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
158	180	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
865	1112	SUPERFAMILY	SSF141868	EAL domain-like
865	1112	InterPro	IPR035919	EAL domain superfamily
123	145	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	28	ProSiteProfiles	PS51257	Prokaryotic membrane lipoprotein lipid attachment site profile.
309	412	InterPro	IPR000014	PAS domain
563	675	Pfam	PF08448	PAS fold
563	675	InterPro	IPR013656	PAS fold-4
564	671	CDD	cd00130	PAS
564	671	InterPro	IPR000014	PAS domain
231	254	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
307	418	SUPERFAMILY	SSF55785	PYP-like sensor domain (PAS domain)
307	418	InterPro	IPR035965	PAS domain superfamily
15	289	Pfam	PF05231	MASE1
15	289	InterPro	IPR007895	MASE1
687	843	CDD	cd01949	GGDEF
687	843	InterPro	IPR000160	GGDEF domain
438	496	Gene3D	G3DSA:3.30.450.20	PAS domain
539	668	SUPERFAMILY	SSF55785	PYP-like sensor domain (PAS domain)
539	668	InterPro	IPR035965	PAS domain superfamily
685	842	Pfam	PF00990	Diguanylate cyclase, GGDEF domain
685	842	InterPro	IPR000160	GGDEF domain
123	145	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
157	180	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
299	421	NCBIfam	TIGR00229	PAS domain S-box protein
299	421	InterPro	IPR000014	PAS domain
552	681	NCBIfam	TIGR00229	PAS domain S-box protein
552	681	InterPro	IPR000014	PAS domain
674	846	SMART	SM00267	duf1_3
674	846	InterPro	IPR000160	GGDEF domain
79	83	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
265	284	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
450	537	Pfam	PF08447	PAS fold
450	537	InterPro	IPR013655	PAS fold-3
324	406	Pfam	PF08447	PAS fold
324	406	InterPro	IPR013655	PAS fold-3
858	1105	SMART	SM00052	duf2_2
858	1105	InterPro	IPR001633	EAL domain
679	847	FunFam	G3DSA:3.30.70.270:FF:000001	Diguanylate cyclase domain protein
435	544	SUPERFAMILY	SSF55785	PYP-like sensor domain (PAS domain)
435	544	InterPro	IPR035965	PAS domain superfamily
857	1114	Gene3D	G3DSA:3.20.20.450	EAL domain
857	1114	InterPro	IPR035919	EAL domain superfamily
298	368	ProSiteProfiles	PS50112	PAS repeat profile.
298	368	InterPro	IPR000014	PAS domain
1	11	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
38	55	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
373	415	SMART	SM00086	pac_2
373	415	InterPro	IPR001610	PAC motif
501	543	SMART	SM00086	pac_2
501	543	InterPro	IPR001610	PAC motif
632	674	SMART	SM00086	pac_2
632	674	InterPro	IPR001610	PAC motif
230	252	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
715	848	ProSiteProfiles	PS50887	GGDEF domain profile.
715	848	InterPro	IPR000160	GGDEF domain
690	846	SUPERFAMILY	SSF55073	Nucleotide cyclase
690	846	InterPro	IPR029787	Nucleotide cyclase
683	845	NCBIfam	TIGR00254	diguanylate cyclase (GGDEF) domain
683	845	InterPro	IPR000160	GGDEF domain

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 + 1

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

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold PA1181	AlphaFold	—	—	full sequence	—	Viewing

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				0.692
10				0.246

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.

53 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
C2E	3N3T	Q3SJE6	690.4 Da LogP -3.05 TPSA 349.6	3 viol.	✓ Clean	`c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O…`
DAO	6DGG	C9XTL5	200.3 Da LogP 3.99 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)O`
GEY	6DGJ	C9XTL5	198.3 Da LogP 3.77 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCC/C=C\C(=O)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).

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
ZINC100022626	1.000	212.3 Da LogP 4.16 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCC/C=C\C(=O)O`
ZINC12501894	1.000	345.2 Da LogP -1.52 TPSA 174.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@](=O)(O)O[C@@H]…`
ZINC1529498	1.000	200.3 Da LogP 3.99 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)O`
ZINC1530417	1.000	228.4 Da LogP 4.77 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)O`
ZINC1628119	1.000	214.3 Da LogP 4.38 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(=O)O`
ZINC1693736	1.000	212.3 Da LogP 4.16 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCC/C=C/C(=O)O`
ZINC2039111479	1.000	212.3 Da LogP 4.16 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCC=CC(=O)O`
ZINC32838980	1.000	226.4 Da LogP 4.55 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCC/C=C/C(=O)O`
ZINC33494013	1.000	345.2 Da LogP -1.52 TPSA 174.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@](=O)(O)O[C@@H]…`
ZINC4095501	1.000	345.2 Da LogP -1.52 TPSA 174.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@](=O)(O)O[C@H]3…`
ZINC88465990	1.000	345.2 Da LogP -1.52 TPSA 174.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@@](=O)(O)O[C@H]…`
ZINC138457918	0.850	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCC(=O)O`
ZINC138458029	0.850	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCC(=O)O`
ZINC144395054	0.850	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCCC(=O)O`
ZINC14619628	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCCCCC(=O)O`
ZINC196749828	0.850	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCC(=O)O`
ZINC2113934076	0.850	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCCC(=O)O`
ZINC2113934082	0.850	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCCCC(=O)O`
ZINC2113934083	0.850	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CCCCC(=O)O`
ZINC2243670	0.850	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCC(=O)O`
ZINC2569203	0.850	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCC(=O)O`
ZINC4798470	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCCCC(=O)O`
ZINC5973005	0.850	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCC(=O)O`
ZINC71418182	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCC(=O)CCCCC(=O)O`
ZINC79244776	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCCCCC(=O)O`
ZINC86037082	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CCCCCC(=O)O`
ZINC86037089	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCCCCCC(=O)O`
ZINC86039283	0.850	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCCCC(=O)O`
ZINC3160730	0.810	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCC(=O)O`
ZINC4582907	0.810	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCC(=O)O`
ZINC4727003	0.810	312.4 Da LogP 4.69 TPSA 71.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCC(=O)CCCCCCCC(=O)O`
ZINC86037074	0.810	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)CCCC(=O)O`
ZINC2378801	0.800	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCC(=O)O`
ZINC2113934081	0.762	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCCCCCCC(=O)O`
ZINC2243668	0.762	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCCC(=O)O`
ZINC2378799	0.762	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCC(=O)O`
ZINC33820423	0.762	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCCCCC(=O)O`
ZINC4095503	0.746	330.2 Da LogP -1.11 TPSA 148.8	✓ Ro5	✓ Clean	`O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O…`
ZINC4533542	0.746	330.2 Da LogP -1.11 TPSA 148.8	✓ Ro5	✓ Clean	`O=c1[nH]cnc2c1ncn2[C@H]1O[C@H]2CO[P@](=O)(O)O[C…`
ZINC4533545	0.746	330.2 Da LogP -1.11 TPSA 148.8	✓ Ro5	✓ Clean	`O=c1[nH]cnc2c1ncn2[C@H]1O[C@H]2CO[P@](=O)(O)O[C…`
ZINC2387442	0.739	246.4 Da LogP 4.34 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCSCCCCC(=O)O`
ZINC31778284	0.739	310.4 Da LogP 4.47 TPSA 71.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)/C=C\C(=O)CCCCCCCC(=O)O`
ZINC5540108	0.739	310.4 Da LogP 4.47 TPSA 71.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)/C=C/C(=O)CCCCCCCC(=O)O`
ZINC64633397	0.739	226.4 Da LogP 4.55 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCC/C=C\CCCCCC(=O)O`
ZINC59545317	0.727	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCC(=O)O`
ZINC59545320	0.727	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(=O)CCC(=O)O`
ZINC59545336	0.727	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCC(=O)O`
ZINC102183435	0.708	316.5 Da LogP 4.27 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCCCCCCCC[C@H](O)[C@@H](O)CCCCC(=O)O`
ZINC111923985	0.708	258.4 Da LogP 4.13 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCC[C@H](O)CCCCC(=O)O`
ZINC13508824	0.708	272.4 Da LogP 4.52 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCC[C@@H](O)CCCCCCCCC(=O)O`

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.