| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 26 | No |
Popular Name: 1-(p-tolyl)-3-[4-(thiazol-2-ylsulfamoyl)phenyl]thiourea 1-(p-tolyl)-3-[4-(thiazol-2-ylsu…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.68 | 6.6 | -55.91 | 2 | 6 | -1 | 85 | 403.534 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 7.16 | -22.72 | 3 | 6 | 0 | 86 | 404.542 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPIA-1-E | Cyclophilin A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 450 | 0.34 | Binding ≤ 10μM |
| Z50609-1-O | Simian Immunodeficiency Virus (cluster #1 Of 2), Other | Other | 2200 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPIA_HUMAN | P62937 | Cyclophilin A, Human | 450 | 0.34 | Binding ≤ 1μM |
| PPIA_HUMAN | P62937 | Cyclophilin A, Human | 450 | 0.34 | Binding ≤ 10μM |
| Z50609 | Z50609 | Simian Immunodeficiency Virus | 2200 | 0.30 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| APOBEC3G mediated resistance to HIV-1 infection | |
| Assembly Of The HIV Virion | |
| Basigin interactions | |
| Binding and entry of HIV virion | |
| Budding and maturation of HIV virion | |
| Early Phase of HIV Life Cycle | |
| Integration of provirus | |
| Minus-strand DNA synthesis | |
| Platelet degranulation | |
| Plus-strand DNA synthesis | |
| Uncoating of the HIV Virion |
