Amino acids
1245
Annotations
9
Features
112
PDB binders
4
Druggability
0.684
Overview
Basic information about this protein and its source genome.
- Accession
- PA0575
- Gene
- PA0575
- Status
- annotated
- Amino acids
- 1245
- Structure source
- Experimental + AlphaFold
EC
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:0071111 Catalysis of the reaction: cyclic di-3',5'-guanylate + H2O = 5'-phosphoguanylyl(3'->5')guanosine + H+.
GO:0052621 Catalysis of the reaction: 2 GTP = cyclic di-3',5'-guanylate + 2 diphosphate + 2 H+.
GO:0005525 Binding to GTP, guanosine triphosphate.
GO:0046872 Binding to a metal ion.
GO:0061939 Any process that mediates the transfer of information from one cell to another using c-di-GMP as the signal.
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 31.034
- Human E-value
- 4.67e-06
- 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
0.684
Sequence
Primary amino-acid sequence viewer.
MQRLQAVLLLCLACCWPGLAGALTLTPEERAWLAEHPSIRLGMDTSWPPFEYRDEQGRYQGLAAGYIGLLQERLSVSLTPVEPKTWTQVLEQAKDGRLDLLPGIMATPERQEYLSFTRPYLDFPIIILARKNGPMPKRIDELYGLKVAVVDHYAPHELLIAQHPDLTLLPLPSVAAALQALATGQADAFVGDFASSVWNLRQLKLNGLEISGETPYRYQLAMAVPRGQPILAGIVDKVLADLSAGEIERLQAPWVGGLLDRRPAWREMATYGLPIVLLILVSVAILLAMNRRLRREVSRRRQLERELRDSEQHYRGLVESLNAIAWEMRLEENRFTYVSPHAERLLGYPLGEWLQPGFWQRTLHPMDAEYAIHYCMSESQAGRDHSFDYRMLAADGRVVWIRDLVTPITQGRDLLLRGLMIDITEAKLTEQAMRLSEQKFASVFHHCPDMVVLANGADGRFLAVNSTFEQQIGIAADDAIGKTATELGIWALPGLGPQVLEKLGHGNLTNLEVPLRRRNGSTFSALLSAQHVALDQTPALVVVIRDITHLVETQELLRISEEKFANAFHAYPDGLLISSLEDGTLIDVNEGFTRLTGYRRDEVISRSTLELGLWVDTEDRKRLISLVRHHTLTQGFTAPVRDRNGGIRQCEMSAHRISIDGEDCVLTIARDITERQLMQEKLQQAATVFESTAEGVMITDTRQRITAVNRAFSEITGYSEQEALGRSPSLLSSGQHDSSFYLAMWNQLERDGHWQGEIWNRRKTGELYPEWLTISAVHNPQGEITHFVGVFADISTLKYAQARLDYQAHHDPLTGLPNRLLFESRLNHALDEAREESRPGAVLFIDLDRFKHINDSLGHPIGDLLLKAIAERLRDQLRDVDTVARLGGDEFIILLPGLHQESDAEHVARKLLNAFTAPFQADGHEFFVSASVGIALFPKDGDDAPTLVKNADAAMYRAKSRGRSRIEYYTRELTYLATERMALETELRRALERDELQLYYQPKLSLESGLLVGAEALVRWYHPLFGEISPERFIPLAEDCGLILPLGDWVLEHACQQMGEWQKLHAPFGPLSVNLAGAQLGQPQLIERLEQLLEQSGLEPSRLQLEITESFIMNQTEEALAVLHGLKRLGVQLAIDDFGTGYSSLSYLKRLPLDILKIDKSFIRGLPDDPHDAAITRAIIALGRSMQLTVIAEGVETEGQQSFLTHEGCEQIQGFVLSPPLPAELFASKFLKPRQPIGAPREAPV
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
1 EC
8 GO
Enzyme Commission (EC)
1Gene Ontology (GO)
8- 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:0071111 Catalysis of the reaction: cyclic di-3',5'-guanylate + H2O = 5'-phosphoguanylyl(3'->5')guanosine + H+.
- GO:0052621 Catalysis of the reaction: 2 GTP = cyclic di-3',5'-guanylate + 2 diphosphate + 2 H+.
- GO:0005525 Binding to GTP, guanosine triphosphate.
- GO:0046872 Binding to a metal ion.
- GO:0061939 Any process that mediates the transfer of information from one cell to another using c-di-GMP as the signal.
- GO:0071732 Any process that results in a change in state or activity of a cell (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a nitric oxide stimulus.
- GO:0005515 Binding to a protein.
Sequence Features
Domain/signature hits from InterPro and related databases.
112 records
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 803 | 970 | FunFam | G3DSA:3.30.70.270:FF:000001 | Diguanylate cyclase domain protein |
| 424 | 548 | Gene3D | G3DSA:3.30.450.20 | PAS domain |
| 551 | 673 | Gene3D | G3DSA:3.30.450.20 | PAS domain |
| 986 | 1220 | Pfam | PF00563 | EAL domain |
| 986 | 1220 | InterPro | IPR001633 | EAL domain |
| 797 | 969 | SMART | SM00267 | duf1_3 |
| 797 | 969 | InterPro | IPR000160 | GGDEF domain |
| 448 | 547 | CDD | cd00130 | PAS |
| 448 | 547 | InterPro | IPR000014 | PAS domain |
| 838 | 971 | ProSiteProfiles | PS50887 | GGDEF domain profile. |
| 838 | 971 | InterPro | IPR000160 | GGDEF domain |
| 809 | 966 | CDD | cd01949 | GGDEF |
| 809 | 966 | InterPro | IPR000160 | GGDEF domain |
| 1 | 22 | SignalP_GRAM_NEGATIVE | SignalP-noTM | SignalP-noTM |
| 1 | 20 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 28 | 254 | Gene3D | G3DSA:3.40.190.10 | - |
| 21 | 270 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 984 | 1231 | SUPERFAMILY | SSF141868 | EAL domain-like |
| 984 | 1231 | InterPro | IPR035919 | EAL domain superfamily |
| 980 | 1235 | FunFam | G3DSA:3.20.20.450:FF:000001 | Cyclic di-GMP phosphodiesterase yahA |
| 297 | 424 | SUPERFAMILY | SSF55785 | PYP-like sensor domain (PAS domain) |
| 297 | 424 | InterPro | IPR035965 | PAS domain superfamily |
| 810 | 978 | Gene3D | G3DSA:3.30.70.270 | - |
| 810 | 978 | InterPro | IPR043128 | Reverse transcriptase/Diguanylate cyclase domain |
| 303 | 423 | Gene3D | G3DSA:3.30.450.20 | PAS domain |
| 509 | 559 | ProSiteProfiles | PS50113 | PAC domain profile. |
| 509 | 559 | InterPro | IPR000700 | PAS-associated, C-terminal |
| 665 | 1236 | PANTHER | PTHR44757 | DIGUANYLATE CYCLASE DGCP |
| 808 | 965 | Pfam | PF00990 | Diguanylate cyclase, GGDEF domain |
| 808 | 965 | InterPro | IPR000160 | GGDEF domain |
| 572 | 672 | CDD | cd00130 | PAS |
| 572 | 672 | InterPro | IPR000014 | PAS domain |
| 572 | 674 | Pfam | PF13426 | PAS domain |
| 572 | 674 | InterPro | IPR000014 | PAS domain |
| 448 | 548 | Pfam | PF13426 | PAS domain |
| 448 | 548 | InterPro | IPR000014 | PAS domain |
| 694 | 795 | Pfam | PF13426 | PAS domain |
| 694 | 795 | InterPro | IPR000014 | PAS domain |
| 286 | 320 | Coils | Coil | Coil |
| 980 | 1234 | ProSiteProfiles | PS50883 | EAL domain profile. |
| 980 | 1234 | InterPro | IPR001633 | EAL domain |
| 123 | 217 | Gene3D | G3DSA:3.40.190.10 | - |
| 979 | 1225 | SMART | SM00052 | duf2_2 |
| 979 | 1225 | InterPro | IPR001633 | EAL domain |
| 39 | 256 | Pfam | PF00497 | Bacterial extracellular solute-binding proteins, family 3 |
| 39 | 256 | InterPro | IPR001638 | Solute-binding protein family 3/N-terminal domain of MltF |
| 423 | 548 | SUPERFAMILY | SSF55785 | PYP-like sensor domain (PAS domain) |
| 423 | 548 | InterPro | IPR035965 | PAS domain superfamily |
| 4 | 15 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 688 | 795 | SUPERFAMILY | SSF55785 | PYP-like sensor domain (PAS domain) |
| 688 | 795 | InterPro | IPR035965 | PAS domain superfamily |
| 754 | 806 | ProSiteProfiles | PS50113 | PAC domain profile. |
| 754 | 806 | InterPro | IPR000700 | PAS-associated, C-terminal |
| 336 | 408 | Pfam | PF08447 | PAS fold |
| 336 | 408 | InterPro | IPR013655 | PAS fold-3 |
| 16 | 20 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 804 | 968 | NCBIfam | TIGR00254 | diguanylate cyclase (GGDEF) domain |
| 804 | 968 | InterPro | IPR000160 | GGDEF domain |
| 268 | 290 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 692 | 794 | CDD | cd00130 | PAS |
| 692 | 794 | InterPro | IPR000014 | PAS domain |
| 1 | 3 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 979 | 1245 | Gene3D | G3DSA:3.20.20.450 | EAL domain |
| 979 | 1245 | InterPro | IPR035919 | EAL domain superfamily |
| 312 | 380 | SMART | SM00091 | pas_2 |
| 312 | 380 | InterPro | IPR000014 | PAS domain |
| 438 | 505 | SMART | SM00091 | pas_2 |
| 438 | 505 | InterPro | IPR000014 | PAS domain |
| 683 | 749 | SMART | SM00091 | pas_2 |
| 683 | 749 | InterPro | IPR000014 | PAS domain |
| 562 | 629 | SMART | SM00091 | pas_2 |
| 562 | 629 | InterPro | IPR000014 | PAS domain |
| 680 | 809 | Gene3D | G3DSA:3.30.450.20 | PAS domain |
| 687 | 804 | NCBIfam | TIGR00229 | PAS domain S-box protein |
| 687 | 804 | InterPro | IPR000014 | PAS domain |
| 308 | 432 | NCBIfam | TIGR00229 | PAS domain S-box protein |
| 308 | 432 | InterPro | IPR000014 | PAS domain |
| 436 | 556 | NCBIfam | TIGR00229 | PAS domain S-box protein |
| 436 | 556 | InterPro | IPR000014 | PAS domain |
| 560 | 682 | NCBIfam | TIGR00229 | PAS domain S-box protein |
| 560 | 682 | InterPro | IPR000014 | PAS domain |
| 510 | 550 | SMART | SM00086 | pac_2 |
| 510 | 550 | InterPro | IPR001610 | PAC motif |
| 635 | 675 | SMART | SM00086 | pac_2 |
| 635 | 675 | InterPro | IPR001610 | PAC motif |
| 755 | 797 | SMART | SM00086 | pac_2 |
| 755 | 797 | InterPro | IPR001610 | PAC motif |
| 386 | 426 | SMART | SM00086 | pac_2 |
| 386 | 426 | InterPro | IPR001610 | PAC motif |
| 681 | 727 | ProSiteProfiles | PS50112 | PAS repeat profile. |
| 681 | 727 | InterPro | IPR000014 | PAS domain |
| 271 | 290 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 36 | 255 | CDD | cd01007 | PBP2_BvgS_HisK_like |
| 38 | 258 | SMART | SM00062 | AABind_6 |
| 38 | 258 | InterPro | IPR001638 | Solute-binding protein family 3/N-terminal domain of MltF |
| 291 | 1245 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 985 | 1224 | CDD | cd01948 | EAL |
| 985 | 1224 | InterPro | IPR001633 | EAL domain |
| 1 | 22 | SignalP_GRAM_POSITIVE | SignalP-TM | SignalP-TM |
| 310 | 369 | ProSiteProfiles | PS50112 | PAS repeat profile. |
| 310 | 369 | InterPro | IPR000014 | PAS domain |
| 39 | 256 | SUPERFAMILY | SSF53850 | Periplasmic binding protein-like II |
| 385 | 435 | ProSiteProfiles | PS50113 | PAC domain profile. |
| 385 | 435 | InterPro | IPR000700 | PAS-associated, C-terminal |
| 547 | 673 | SUPERFAMILY | SSF55785 | PYP-like sensor domain (PAS domain) |
| 547 | 673 | InterPro | IPR035965 | PAS domain superfamily |
| 560 | 635 | ProSiteProfiles | PS50112 | PAS repeat profile. |
| 560 | 635 | InterPro | IPR000014 | PAS domain |
| 331 | 423 | CDD | cd00130 | PAS |
| 331 | 423 | InterPro | IPR000014 | PAS domain |
| 813 | 970 | SUPERFAMILY | SSF55073 | Nucleotide cyclase |
| 813 | 970 | InterPro | IPR029787 | Nucleotide cyclase |
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...
Legend
High
Medium
Low
Structural evidence
1 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
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 | 0.684 |
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 | Sticks | Spheres | Surfaces | Score | Probability | Labels | Zoom | Positions |
|---|---|---|---|---|---|---|---|---|
| 1 | 6.61 | 0.335 | ||||||
| 2 | 3.76 | 0.144 | ||||||
| 3 | 2.65 | 0.077 | ||||||
| 4 | 2.26 | 0.056 | ||||||
| 5 | 1.54 | 0.023 |
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 | 0.641 | ||||||
| 4 | 0.374 |
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.
54 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 | 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 | C9XTL5 | 200.3 Da LogP 3.99 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)O
|
|
| GEY | C9XTL5 | 198.3 Da LogP 3.77 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC/C=C\C(=O)O
|
|
| OXY | P76129 | 32.0 Da LogP 0.07 TPSA 34.1 | ✓ Ro5 | ✓ Clean |
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
|
| ZINC100246029 | 0.708 | 262.4 Da LogP 3.35 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC[S@](=O)CCCCC(=O)O
|
| ZINC14502373 | 0.708 | 258.4 Da LogP 4.13 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@H](O)CCCCCCCC(=O)O
|
| ZINC8220964 | 0.708 | 316.5 Da LogP 4.27 TPSA 77.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC[C@@H](O)[C@@H](O)CCCCCCCC(=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.