| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2006 | 27 | No |
Popular Name: 1-(4-nitrophenyl)-3-(3-(phenylmethoxy)(2-pyridyl))urea 1-(4-nitrophenyl)-3-(3-(phenylme…
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CAS Number: 877458-91-8
| 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) | 3.81 | 9.55 | -15.73 | 2 | 8 | 0 | 109 | 364.361 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.81 | 9.32 | -39.14 | 3 | 8 | 1 | 110 | 365.369 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPIA-1-E | Cyclophilin A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 14 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPIA_HUMAN | P62937 | Cyclophilin A, Human | 14 | 0.41 | Binding ≤ 1μM |
| PPIA_HUMAN | P62937 | Cyclophilin A, Human | 14 | 0.41 | Binding ≤ 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 |
No pre-computed analogs available. Try a structural similarity search.