| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 24 | Yes |
Popular Name: 4-phenyl-1-[[(3R,4S)-4-phenylpyrrolidin-3-yl]methyl]piperidine 4-phenyl-1-[[(3R,4S)-4-phenylpyr…
| 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) | 4.90 | 12.37 | -121.63 | 3 | 2 | 2 | 21 | 322.496 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.90 | 10.91 | -40.29 | 2 | 2 | 1 | 16 | 321.488 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.90 | 10.2 | -43.82 | 2 | 2 | 1 | 20 | 321.488 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR5-1-E | C-C Chemokine Receptor Type 5 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 980 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR5_HUMAN | P51681 | C-C Chemokine Receptor Type 5, Human | 980 | 0.35 | Binding ≤ 1μM |
| CCR5_HUMAN | P51681 | C-C Chemokine Receptor Type 5, Human | 980 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Binding and entry of HIV virion | |
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
