Overview
Basic information about this protein and its source genome.
- Accession
- KP13_32231
- Gene
- AHE47083.1 fdoG
- Status
- annotated
- Amino acids
- 1016
- Structure source
- ColabFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Human identity (%)
- 0.0
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- DEG identity (%)
- 0.0
- Localization
- Periplasmic
- ColabFold pLDDT
- 95.11
Selected Druggability evidence
ColabFold / curated modelSelected 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.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
13- GO:0047111 Catalysis of the reaction: ferricytochrome C-553 + formate = ferrocytochrome C-553 + CO2.
- GO:0051539 Binding to a 4 iron, 4 sulfur (4Fe-4S) cluster; this cluster consists of four iron atoms, with the inorganic sulfur atoms found between the irons and acting as bridging ligands.
- GO:0008863 Catalysis of the reaction: formate + NAD+ = CO2 + NADH.
- GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced.
- GO:0009055 A molecular function representing the directed movement of electrons from one molecular entity to another, typically mediated by electron carriers or acceptors, resulting in the transfer of energy and/or the reduction-oxidation (redox) transformation of chemical species. This activity is fundamental to various biological processes, including cellular respiration and photosynthesis, as well as numerous enzymatic reactions involved in metabolic pathways.
- GO:0045333 The enzymatic release of energy from inorganic and organic compounds (especially carbohydrates and fats) which either requires oxygen (aerobic respiration) or does not (anaerobic respiration).
- GO:0043546 Binding to a molybdopterin cofactor (Moco), essential for the catalytic activity of some enzymes, e.g. sulfite oxidase, xanthine dehydrogenase, and aldehyde oxidase. The cofactor consists of a mononuclear molybdenum (Mo-molybdopterin) or tungsten ion (W-molybdopterin) coordinated by one or two molybdopterin ligands.
- GO:0009326 An enzyme complex that catalyzes the dehydrogenation of formate to produce carbon dioxide (CO2).
- GO:0042597 The region between the inner (cytoplasmic) and outer membrane (Gram-negative Bacteria) or cytoplasmic membrane and cell wall (Fungi and Gram-positive Bacteria).
- GO:0036397 Catalysis of the reaction: formate + a quinone = CO2 + a quinol.
- GO:0030151 Binding to a molybdenum ion (Mo).
- GO:0009061 The enzymatic release of energy from inorganic and organic compounds (especially carbohydrates and fats) which uses compounds other than oxygen (e.g. nitrate, sulfate) as the terminal electron acceptor.
- GO:0015944 The chemical reactions and pathways by which formate is converted to CO2.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 887 | 1015 | CDD | cd02792 | MopB_CT_Formate-Dh-Na-like |
| 1 | 1015 | PANTHER | PTHR43598 | TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE 2 SUBUNIT B |
| 517 | 682 | FunFam | G3DSA:3.40.50.740:FF:000007 | Formate dehydrogenase, alpha subunit, selenocysteine-containing |
| 841 | 1016 | FunFam | G3DSA:2.40.40.20:FF:000017 | Formate dehydrogenase, alpha subunit |
| 35 | 159 | FunFam | G3DSA:3.30.200.210:FF:000003 | Formate dehydrogenase-N subunit alpha |
| 25 | 33 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 841 | 1016 | Gene3D | G3DSA:2.40.40.20 | - |
| 1 | 33 | SignalP_GRAM_POSITIVE | SignalP-TM | SignalP-TM |
| 48 | 66 | ProSitePatterns | PS00551 | Prokaryotic molybdopterin oxidoreductases signature 1. |
| 48 | 66 | InterPro | IPR027467 | Molybdopterin oxidoreductase, molybdopterin cofactor binding site |
| 44 | 103 | Pfam | PF04879 | Molybdopterin oxidoreductase Fe4S4 domain |
| 44 | 103 | InterPro | IPR006963 | Molybdopterin oxidoreductase, 4Fe-4S domain |
| 43 | 104 | SMART | SM00926 | Molybdop_Fe4S4_2 |
| 43 | 104 | InterPro | IPR006963 | Molybdopterin oxidoreductase, 4Fe-4S domain |
| 192 | 485 | Gene3D | G3DSA:3.40.228.10 | Dimethylsulfoxide Reductase, domain 2 |
| 34 | 158 | Gene3D | G3DSA:3.30.200.210 | - |
| 528 | 682 | Gene3D | G3DSA:3.40.50.740 | - |
| 192 | 485 | FunFam | G3DSA:3.40.228.10:FF:000006 | Formate dehydrogenase, alpha subunit, selenocysteine-containing |
| 47 | 874 | CDD | cd02752 | MopB_Formate-Dh-Na-like |
| 34 | 1016 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 1 | 10 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 1 | 33 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 928 | 955 | ProSitePatterns | PS00932 | Prokaryotic molybdopterin oxidoreductases signature 3. |
| 928 | 955 | InterPro | IPR006655 | Molybdopterin oxidoreductase, prokaryotic, conserved site |
| 691 | 840 | FunFam | G3DSA:3.40.228.10:FF:000011 | Formate dehydrogenase-N subunit alpha |
| 894 | 1009 | Pfam | PF01568 | Molydopterin dinucleotide binding domain |
| 894 | 1009 | InterPro | IPR006657 | Molybdopterin dinucleotide-binding domain |
| 43 | 106 | ProSiteProfiles | PS51669 | Prokaryotic molybdopterin oxidoreductases 4Fe-4S domain profile. |
| 43 | 106 | InterPro | IPR006963 | Molybdopterin oxidoreductase, 4Fe-4S domain |
| 11 | 24 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 2 | 1015 | NCBIfam | TIGR01553 | formate dehydrogenase-N subunit alpha |
| 2 | 1015 | InterPro | IPR006443 | Formate dehydrogenase-N, alpha subunit |
| 1 | 33 | ProSiteProfiles | PS51318 | Twin arginine translocation (Tat) signal profile. |
| 1 | 33 | InterPro | IPR006311 | Twin-arginine translocation pathway, signal sequence |
| 35 | 851 | SUPERFAMILY | SSF53706 | Formate dehydrogenase/DMSO reductase, domains 1-3 |
| 107 | 589 | Pfam | PF00384 | Molybdopterin oxidoreductase |
| 107 | 589 | InterPro | IPR006656 | Molybdopterin oxidoreductase |
| 744 | 840 | Gene3D | G3DSA:3.40.228.10 | Dimethylsulfoxide Reductase, domain 2 |
| 830 | 1016 | SUPERFAMILY | SSF50692 | ADC-like |
| 830 | 1016 | InterPro | IPR009010 | Aspartate decarboxylase-like domain superfamily |
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...
Structural evidence
0 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
ColabFold
KP13_32231
|
ColabFold | — | — | 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 | 0.932 | ||||||
| 31 | 0.825 | ||||||
| 4 | 0.306 |
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 | 12.27 | 0.645 | ||||||
| 2 | 9.18 | 0.492 | ||||||
| 3 | 8.94 | 0.479 | ||||||
| 4 | 8.22 | 0.438 | ||||||
| 5 | 7.69 | 0.406 |
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.
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 |
|---|---|---|---|---|---|---|
| 2MD | Q934F5 | 742.6 Da LogP -2.53 TPSA 346.6 | 3 viol. | ✓ Clean |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=…
|
|
| 4MO | P07658 | 95.9 Da LogP -0.00 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
[Mo+4]
|
|
| 6MO | D5AQH0 | 95.9 Da LogP -0.00 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
[Mo+6]
|
|
| CDL | P24183 | 1464.1 Da LogP 23.31 TPSA 242.6 | 3 viol. | ✓ Clean |
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(…
|
|
| FES | D5AQH0 | 175.8 Da LogP 1.29 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
S1[Fe]S[Fe]1
|
|
| H2S | Q72EJ1 | 34.1 Da LogP 0.11 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
S
|
|
| HQO | P24183 | 259.3 Da LogP 3.69 TPSA 47.2 | ✓ Ro5 | Alert |
CCCCCCCc1cc(c2ccccc2[n+]1[O-])O
|
|
| MGD | Q72EJ1 | 740.6 Da LogP -2.06 TPSA 346.6 | 3 viol. | ✓ Clean |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=…
|
|
| NO2 | P07658 | 46.0 Da LogP 0.25 TPSA 52.5 | ✓ Ro5 | ✓ Clean |
N(=O)[O-]
|
|
| W | Q72EJ1 | 183.8 Da LogP -0.00 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
[W+6]
|
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 |
|---|---|---|---|---|---|
| ZINC1529909 | 1.000 | 259.3 Da LogP 3.69 TPSA 47.2 | ✓ Ro5 | Alert |
CCCCCCCc1cc(O)c2ccccc2[n+]1[O-]
|
| ZINC102191119 | 0.708 | 498.6 Da LogP 3.65 TPSA 148.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO…
|
| ZINC58649551 | 0.708 | 498.6 Da LogP 3.65 TPSA 148.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](O)CO)…
|
| ZINC36178999 | 0.705 | 424.5 Da LogP 4.27 TPSA 119.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)OC[C@@H](COP(=O)(O)O)OC(=O)CCCCCCC
|
| ZINC36179002 | 0.705 | 424.5 Da LogP 4.27 TPSA 119.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC
|
| ZINC104869865 | 0.684 | 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 | 0.684 | 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 | 0.684 | 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 | 0.684 | 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 | 0.684 | 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 | 0.684 | 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 | 0.684 | 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)(…
|
| ZINC5820131 | 0.682 | 368.4 Da LogP 2.71 TPSA 119.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)OC[C@@H](COP(=O)(O)O)OC(=O)CCCCC
|
| ZINC5820134 | 0.682 | 368.4 Da LogP 2.71 TPSA 119.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC
|
| ZINC4521879 | 0.650 | 386.5 Da LogP 4.73 TPSA 78.9 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC
|
| ZINC137999083 | 0.622 | 424.5 Da LogP 4.87 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COP(=O)(O)O
|
| ZINC42851452 | 0.622 | 424.5 Da LogP 4.87 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O
|
| ZINC62624856 | 0.622 | 382.4 Da LogP 3.70 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC(=O)OC[C@H](O)COP(=O)(O)O
|
| ZINC62624861 | 0.622 | 382.4 Da LogP 3.70 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O
|
| ZINC8218993 | 0.622 | 410.5 Da LogP 4.48 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)COP(=O)(O)O
|
| ZINC8219000 | 0.622 | 410.5 Da LogP 4.48 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O
|
| ZINC102190506 | 0.620 | 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 | 0.620 | 467.5 Da LogP 4.25 TPSA 134.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)C…
|
| ZINC12501413 | 0.610 | 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 | 0.610 | 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 | 0.610 | 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 | 0.610 | 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 | 0.610 | 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 | 0.610 | 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 | 0.610 | 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 | 0.610 | 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 | 0.610 | 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)[…
|
| ZINC13552119 | 0.600 | 270.2 Da LogP 0.58 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)OC[C@@H](O)COP(=O)(O)O
|
| ZINC27416437 | 0.600 | 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 | 0.600 | 411.4 Da LogP 2.69 TPSA 134.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCC…
|
| ZINC36079847 | 0.591 | 344.5 Da LogP 4.15 TPSA 72.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC
|
| ZINC8214428 | 0.591 | 344.5 Da LogP 4.15 TPSA 72.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC
|
| ZINC13543394 | 0.588 | 455.4 Da LogP 2.15 TPSA 171.7 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](N)C(=O)…
|
| ZINC4521911 | 0.585 | 344.4 Da LogP 3.56 TPSA 78.9 | ✓ Ro5 | ✓ Clean |
CCCCC(=O)OCC(COC(=O)CCCC)OC(=O)CCCC
|
| ZINC85603366 | 0.585 | 344.5 Da LogP 4.15 TPSA 72.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC
|
| ZINC13544781 | 0.585 | 482.6 Da LogP 4.22 TPSA 108.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCC[N+](C)(C)C…
|
| ZINC13544783 | 0.585 | 482.6 Da LogP 4.22 TPSA 108.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)…
|
| ZINC102191158 | 0.571 | 456.5 Da LogP 3.08 TPSA 142.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P@@](=O)(O)OC[C@…
|
| ZINC14880758 | 0.571 | 484.6 Da LogP 3.86 TPSA 142.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)(O)OC[…
|
| ZINC14880760 | 0.571 | 484.6 Da LogP 3.86 TPSA 142.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P@](=O)(O)OC[C…
|
| ZINC53683910 | 0.571 | 484.6 Da LogP 3.86 TPSA 142.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P@@](=O)(O)OC[…
|
| ZINC62592202 | 0.571 | 456.5 Da LogP 3.08 TPSA 142.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P@@](=O)(O)OC[C@…
|
| ZINC62592203 | 0.571 | 456.5 Da LogP 3.08 TPSA 142.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@@](=O)(O)OC[C…
|
| ZINC62592204 | 0.571 | 484.6 Da LogP 3.86 TPSA 142.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@@](=O)(O)OC…
|
| ZINC96094841 | 0.571 | 456.5 Da LogP 3.08 TPSA 142.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@@](=O)(O)OC[C…
|
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.