Overview
Basic information about this protein and its source genome.
- Accession
- PA1581
- Gene
- sdhC PA1581
- Status
- annotated
- Amino acids
- 128
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 31.373
- Human E-value
- 7.58e-06
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- 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.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene 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: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:0046872 Binding to a metal ion.
- GO:0006099 A nearly universal metabolic pathway in which the acetyl group of acetyl coenzyme A is effectively oxidized to two CO2 and four pairs of electrons are transferred to coenzymes. The acetyl group combines with oxaloacetate to form citrate, which undergoes successive transformations to isocitrate, 2-oxoglutarate, succinyl-CoA, succinate, fumarate, malate, and oxaloacetate again, thus completing the cycle. In eukaryotes the tricarboxylic acid is confined to the mitochondria. See also glyoxylate cycle.
- GO:0000104 Catalysis of the reaction: succinate + acceptor = fumarate + reduced acceptor.
- GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
- GO:0016627 Catalysis of an oxidation-reduction (redox) reaction in which a CH-CH group acts as a hydrogen or electron donor and reduces a hydrogen or electron acceptor.
- GO:0045281 OBSOLETE. A multimeric complex which consists of flavoprotein (subunit A ; InterPro:IPR003952), iron-sulfur protein (subunit B) and membrane-bound cytochrome b560 (subunit C; InterPro:IPR000701). In some Archaea, the membrane-bound subunits (C or C and D) do not necessarily contain heme. Membrane-bound subunits can bind or react with quinones.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 72 | 94 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 107 | 126 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 108 | 127 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 3 | 123 | PANTHER | PTHR10978 | SUCCINATE DEHYDROGENASE CYTOCHROME B560 SUBUNIT |
| 3 | 123 | InterPro | IPR014314 | Succinate dehydrogenase, cytochrome b556 subunit |
| 88 | 107 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 9 | 33 | ProSitePatterns | PS01000 | Succinate dehydrogenase cytochrome b subunit signature 1. |
| 9 | 33 | InterPro | IPR018495 | Succinate dehydrogenase, cytochrome b subunit, conserved site |
| 28 | 48 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1 | 128 | SUPERFAMILY | SSF81343 | Fumarate reductase respiratory complex transmembrane subunits |
| 1 | 128 | InterPro | IPR034804 | Fumarate reductase/succinate dehydrogenase, transmembrane subunit |
| 1 | 128 | Gene3D | G3DSA:1.20.1300.10 | Fumarate reductase/succinate dehydrogenase, transmembrane subunit |
| 26 | 48 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1 | 128 | PIRSF | PIRSF000178 | SDH_cyt_b560 |
| 1 | 128 | InterPro | IPR014314 | Succinate dehydrogenase, cytochrome b556 subunit |
| 1 | 27 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 84 | 97 | ProSitePatterns | PS01001 | Succinate dehydrogenase cytochrome b subunit signature 2. |
| 84 | 97 | InterPro | IPR018495 | Succinate dehydrogenase, cytochrome b subunit, conserved site |
| 49 | 67 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 1 | 128 | FunFam | G3DSA:1.20.1300.10:FF:000005 | Succinate dehydrogenase cytochrome b556 subunit |
| 8 | 126 | NCBIfam | TIGR02970 | succinate dehydrogenase, cytochrome b556 subunit |
| 8 | 126 | InterPro | IPR014314 | Succinate dehydrogenase, cytochrome b556 subunit |
| 9 | 125 | CDD | cd03499 | SQR_TypeC_SdhC |
| 9 | 125 | InterPro | IPR014314 | Succinate dehydrogenase, cytochrome b556 subunit |
| 6 | 122 | Pfam | PF01127 | Succinate dehydrogenase/Fumarate reductase transmembrane subunit |
| 6 | 122 | InterPro | IPR000701 | Succinate dehydrogenase/fumarate reductase type B, transmembrane subunit |
| 68 | 87 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 128 | 128 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
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 |
|---|---|---|---|---|---|---|
|
AlphaFold
PA1581
|
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 |
|---|---|---|---|---|---|---|---|
| 2 | 0.854 | ||||||
| 4 | 0.843 | ||||||
| 3 | 0.222 |
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 |
|---|---|---|---|---|---|---|
| 11J | D0VWV4 | 399.2 Da LogP 5.21 TPSA 29.1 | 1 viol. | ✓ Clean |
c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3I
|
|
| 12J | D0VWV4 | 381.2 Da LogP 4.33 TPSA 38.3 | ✓ Ro5 | ✓ Clean |
CC(C)Oc1cccc(c1)NC(=O)c2ccccc2I
|
|
| 3NP | D0VWV4 | 119.1 Da LogP -0.26 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
C(C[N+](=O)[O-])C(=O)O
|
|
| AT5 | P69054 | 366.2 Da LogP 2.79 TPSA 88.6 | ✓ Ro5 | ✓ Clean |
C[C@@H](C[C@H](C)C(=O)C1=C(C(=C(NC1=O)OC)OC)O)[…
|
|
| BOL | D0VWV4 | 323.1 Da LogP 3.54 TPSA 29.1 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)NC(=O)c2ccccc2I
|
|
| CBE | P69054 | 235.3 Da LogP 2.62 TPSA 38.3 | ✓ Ro5 | ✓ Clean |
CC1=C(SCCO1)C(=O)Nc2ccccc2
|
|
| CDN | P69054 | 1151.5 Da LogP 14.77 TPSA 249.6 | 4 viol. | ✓ Clean |
CCCCCCCCCCCCCCC(O)O[C@H](COC(CCCCC)O)CO[P@@](=O…
|
|
| DNT | P69054 | 282.3 Da LogP 3.89 TPSA 106.5 | ✓ Ro5 | ✓ Clean |
CCCCCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]
|
|
| E23 | D0VWV4 | 335.4 Da LogP 4.93 TPSA 29.1 | ✓ Ro5 | ✓ Clean |
CC(C)(C)c1ccc(cc1)CNC(=O)c2ccccc2C(F)(F)F
|
|
| EBM | D0VWV4 | 289.1 Da LogP 2.43 TPSA 29.1 | ✓ Ro5 | ✓ Clean |
CC(C)NC(=O)c1ccccc1I
|
|
| EPH | P69054 | 709.9 Da LogP 10.16 TPSA 134.4 | 2 viol. | ✓ Clean |
CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCC…
|
|
| F3S | P69054 | 295.8 Da LogP 2.59 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
S1[Fe]2S[Fe]3[S]2[Fe]1S3
|
|
| F6A | D0VWV4 | 341.3 Da LogP 5.62 TPSA 29.1 | 1 viol. | ✓ Clean |
c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3C(F)(F)F
|
|
| F7A | D0VWV4 | 357.3 Da LogP 5.75 TPSA 38.3 | 1 viol. | ✓ Clean |
c1ccc(cc1)Oc2cccc(c2)NC(=O)c3ccccc3C(F)(F)F
|
|
| F9A | D0VWV4 | 322.3 Da LogP 4.02 TPSA 32.3 | ✓ Ro5 | ✓ Clean |
CN(C)Cc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F
|
|
| FD8 | D0VWV4 | 447.3 Da LogP 6.45 TPSA 38.3 | 1 viol. | ✓ Clean |
c1ccc(c(c1)C(=O)Nc2cccc(c2)Oc3c(c(c(c(c3F)F)F)F…
|
|
| FES | P69054 | 175.8 Da LogP 1.29 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
S1[Fe]S[Fe]1
|
|
| FTN | D0VWV4 | 323.3 Da LogP 4.74 TPSA 38.3 | ✓ Ro5 | ✓ Clean |
CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F
|
|
| JMP | D0VWV4 | 299.3 Da LogP 3.42 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(=O)O
|
|
| MLI | D0VWV4 | 102.0 Da LogP -3.12 TPSA 80.3 | ✓ Ro5 | ✓ Clean |
C(C(=O)[O-])C(=O)[O-]
|
|
| MRN | D0VWV4 | 269.3 Da LogP 4.03 TPSA 38.3 | ✓ Ro5 | ✓ Clean |
Cc1ccccc1C(=O)Nc2cccc(c2)OC(C)C
|
|
| N1M | D0VWV4 | 261.1 Da LogP 1.65 TPSA 29.1 | ✓ Ro5 | ✓ Clean |
CNC(=O)c1ccccc1I
|
|
| NBI | D0VWV4 | 242.2 Da LogP 2.85 TPSA 72.2 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)NC(=O)c2ccccc2[N+](=O)[O-]
|
|
| OAA | P69054 | 131.1 Da LogP -2.22 TPSA 94.5 | ✓ Ro5 | ✓ Clean |
C(C(=O)C(=O)O)C(=O)[O-]
|
|
| PCI | D0VWV4 | 266.3 Da LogP 4.66 TPSA 20.2 | ✓ Ro5 | ✓ Clean |
c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O
|
|
| SLI | D0VWV4 | 213.2 Da LogP 2.64 TPSA 49.3 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)NC(=O)c2ccccc2O
|
|
| TEO | P69054 | 132.1 Da LogP -3.14 TPSA 103.7 | ✓ Ro5 | ✓ Clean |
C(=C(\O)/[O-])\[C@H](C(=O)[O-])O
|
|
| TFZ | D0VWV4 | 265.2 Da LogP 3.96 TPSA 29.1 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)NC(=O)c2ccccc2C(F)(F)F
|
|
| TMG | D0VWV4 | 201.3 Da LogP 2.69 TPSA 41.6 | ✓ Ro5 | ✓ Clean |
c1ccc2c(c1)[nH]c(n2)c3cscn3
|
|
| TTF | D0VWV4 | 222.2 Da LogP 2.45 TPSA 34.1 | ✓ Ro5 | ✓ Clean |
c1cc(sc1)C(=O)CC(=O)C(F)(F)F
|
|
| UQ1 | D0VWV4 | 250.3 Da LogP 2.32 TPSA 52.6 | ✓ Ro5 | Alert |
CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C
|
|
| UQ2 | P69054 | 318.4 Da LogP 4.04 TPSA 52.6 | ✓ Ro5 | Alert |
CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CCC=C(C)C
|
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 |
|---|---|---|---|---|---|
| ZINC100004957 | 1.000 | 222.2 Da LogP 2.45 TPSA 34.1 | ✓ Ro5 | ✓ Clean |
O=C(CC(=O)C(F)(F)F)c1cccs1
|
| ZINC105794 | 1.000 | 269.3 Da LogP 4.03 TPSA 38.3 | ✓ Ro5 | ✓ Clean |
Cc1ccccc1C(=O)Nc1cccc(OC(C)C)c1
|
| ZINC10715425 | 1.000 | 299.3 Da LogP 3.42 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
CC(C)Oc1cccc(NC(=O)c2ccccc2C(=O)O)c1
|
| ZINC1479 | 1.000 | 323.3 Da LogP 4.74 TPSA 38.3 | ✓ Ro5 | ✓ Clean |
CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
|
| ZINC1529471 | 1.000 | 266.3 Da LogP 4.66 TPSA 20.2 | ✓ Ro5 | ✓ Clean |
Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
|
| ZINC1532641 | 1.000 | 318.4 Da LogP 4.04 TPSA 52.6 | ✓ Ro5 | Alert |
COC1=C(OC)C(=O)C(C/C=C(\C)CCC=C(C)C)=C(C)C1=O
|
| ZINC173184 | 1.000 | 261.1 Da LogP 1.65 TPSA 29.1 | ✓ Ro5 | ✓ Clean |
CNC(=O)c1ccccc1I
|
| ZINC288523 | 1.000 | 289.1 Da LogP 2.43 TPSA 29.1 | ✓ Ro5 | ✓ Clean |
CC(C)NC(=O)c1ccccc1I
|
| ZINC47452658 | 1.000 | 322.3 Da LogP 4.02 TPSA 32.3 | ✓ Ro5 | ✓ Clean |
CN(C)Cc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
|
| ZINC73711 | 1.000 | 201.3 Da LogP 2.69 TPSA 41.6 | ✓ Ro5 | ✓ Clean |
c1ccc2[nH]c(-c3cscn3)nc2c1
|
| ZINC33649281 | 0.974 | 296.3 Da LogP 4.28 TPSA 106.5 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-…
|
| ZINC33649283 | 0.974 | 296.3 Da LogP 4.28 TPSA 106.5 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-]…
|
| ZINC225408 | 0.900 | 247.9 Da LogP 3.71 TPSA 40.5 | ✓ Ro5 | ✓ Clean |
Oc1c(Cl)c(Cl)c(O)c(Cl)c1Cl
|
| ZINC2748435 | 0.900 | 406.4 Da LogP 4.01 TPSA 144.5 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc…
|
| ZINC1226317 | 0.824 | 361.4 Da LogP 4.10 TPSA 101.3 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc…
|
| ZINC1583639 | 0.821 | 254.2 Da LogP 3.11 TPSA 106.5 | ✓ Ro5 | ✓ Clean |
CCC[C@@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c…
|
| ZINC2038099 | 0.821 | 254.2 Da LogP 3.11 TPSA 106.5 | ✓ Ro5 | ✓ Clean |
CCC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
|
| ZINC154748 | 0.818 | 247.9 Da LogP 3.71 TPSA 40.5 | ✓ Ro5 | Alert |
Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl
|
| ZINC5717089 | 0.818 | 406.4 Da LogP 4.01 TPSA 144.5 | ✓ Ro5 | ✓ Clean |
O=C(Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccc…
|
| ZINC3196225 | 0.800 | 286.2 Da LogP 2.55 TPSA 109.5 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1
|
| ZINC283438 | 0.794 | 299.3 Da LogP 2.81 TPSA 101.3 | ✓ Ro5 | ✓ Clean |
CC(=O)Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1
|
| ZINC379537 | 0.791 | 295.3 Da LogP 3.97 TPSA 38.3 | ✓ Ro5 | ✓ Clean |
COc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
|
| ZINC1168062 | 0.788 | 283.2 Da LogP 4.10 TPSA 29.1 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccc(F)cc1)c1ccccc1C(F)(F)F
|
| ZINC613859 | 0.788 | 322.3 Da LogP 3.92 TPSA 58.2 | ✓ Ro5 | ✓ Clean |
CC(=O)Nc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1
|
| ZINC2990895 | 0.786 | 289.3 Da LogP 4.31 TPSA 49.3 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccccc1O
|
| ZINC9269892 | 0.786 | 283.4 Da LogP 4.42 TPSA 38.3 | ✓ Ro5 | ✓ Clean |
CC[C@@H](C)Oc1cccc(NC(=O)c2ccccc2C)c1
|
| ZINC9269893 | 0.786 | 283.4 Da LogP 4.42 TPSA 38.3 | ✓ Ro5 | ✓ Clean |
CC[C@H](C)Oc1cccc(NC(=O)c2ccccc2C)c1
|
| ZINC1856 | 0.778 | 229.2 Da LogP 2.35 TPSA 69.6 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccc(O)cc1)c1ccccc1O
|
| ZINC435978 | 0.778 | 285.3 Da LogP 1.95 TPSA 115.3 | ✓ Ro5 | ✓ Clean |
NC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1
|
| ZINC587303 | 0.778 | 346.3 Da LogP 4.08 TPSA 89.3 | ✓ Ro5 | ✓ Clean |
O=C(c1ccccc1)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c…
|
| ZINC3554461 | 0.775 | 293.3 Da LogP 3.94 TPSA 29.1 | ✓ Ro5 | ✓ Clean |
Cc1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1
|
| ZINC725613 | 0.775 | 353.2 Da LogP 3.55 TPSA 38.3 | ✓ Ro5 | ✓ Clean |
COc1cccc(NC(=O)c2ccccc2I)c1
|
| ZINC1228298 | 0.771 | 368.1 Da LogP 3.45 TPSA 72.2 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccc(I)cc1)c1ccccc1[N+](=O)[O-]
|
| ZINC243339 | 0.771 | 243.2 Da LogP 2.24 TPSA 85.1 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccncc1)c1ccccc1[N+](=O)[O-]
|
| ZINC61711 | 0.771 | 260.2 Da LogP 2.99 TPSA 72.2 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccc(F)cc1)c1ccccc1[N+](=O)[O-]
|
| ZINC6628036 | 0.771 | 308.3 Da LogP 3.06 TPSA 72.2 | ✓ Ro5 | ✓ Clean |
NC(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1
|
| ZINC69319 | 0.771 | 256.3 Da LogP 3.16 TPSA 72.2 | ✓ Ro5 | ✓ Clean |
Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1
|
| ZINC69325 | 0.771 | 321.1 Da LogP 3.61 TPSA 72.2 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-]
|
| ZINC69327 | 0.771 | 276.7 Da LogP 3.50 TPSA 72.2 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-]
|
| ZINC298987 | 0.769 | 241.3 Da LogP 3.26 TPSA 38.3 | ✓ Ro5 | ✓ Clean |
COc1cccc(NC(=O)c2ccccc2C)c1
|
| ZINC399096 | 0.769 | 271.3 Da LogP 2.65 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
COc1cccc(NC(=O)c2ccccc2C(=O)O)c1
|
| ZINC31077007 | 0.767 | 349.2 Da LogP 4.86 TPSA 38.3 | ✓ Ro5 | ✓ Clean |
O=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1C(F)(F)F
|
| ZINC993036 | 0.767 | 359.4 Da LogP 4.90 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
Cc1ccccc1C(=O)Nc1cccc(O[C@@H](C)C(=O)c2ccccc2)c1
|
| ZINC993037 | 0.767 | 359.4 Da LogP 4.90 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
Cc1ccccc1C(=O)Nc1cccc(O[C@H](C)C(=O)c2ccccc2)c1
|
| ZINC362348 | 0.767 | 339.1 Da LogP 3.25 TPSA 49.3 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccc(O)cc1)c1ccccc1I
|
| ZINC17584703 | 0.765 | 266.2 Da LogP 3.35 TPSA 42.0 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccncc1)c1ccccc1C(F)(F)F
|
| ZINC2961290 | 0.765 | 391.1 Da LogP 4.56 TPSA 29.1 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccc(I)cc1)c1ccccc1C(F)(F)F
|
| ZINC2964037 | 0.765 | 299.7 Da LogP 4.61 TPSA 29.1 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccc(Cl)cc1)c1ccccc1C(F)(F)F
|
| ZINC449922 | 0.765 | 344.1 Da LogP 4.72 TPSA 29.1 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccc(Br)cc1)c1ccccc1C(F)(F)F
|
| ZINC450254 | 0.763 | 279.3 Da LogP 3.64 TPSA 29.1 | ✓ Ro5 | ✓ Clean |
O=C(NCc1ccccc1)c1ccccc1C(F)(F)F
|
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.