In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 12th, 2008 | 28 | Yes |
Popular Name: N-[3-(benzyloxy)-2-pyridinyl]-N'-[3-(trifluoromethyl)phenyl]urea N-[3-(benzyloxy)-2-pyridinyl]-N'…
Find On: PubMed — Wikipedia — Google
CAS Number: 877459-38-6
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) | 4.72 | 9.84 | -11.99 | 2 | 5 | 0 | 63 | 387.361 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.72 | 9.61 | -32.48 | 3 | 5 | 1 | 64 | 388.369 | 6 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
PPIA-1-E | Cyclophilin A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 303 | 0.33 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
PPIA_HUMAN | P62937 | Cyclophilin A, Human | 303 | 0.33 | Binding ≤ 1μM |
PPIA_HUMAN | P62937 | Cyclophilin A, Human | 303 | 0.33 | 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.