| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2009 | 33 | Yes |
Popular Name: (2S)-N-(1-benzyl-4-piperidyl)-1-(4-isopropylphenyl)sulfonyl-pyrrolidine-2-carboxamide (2S)-N-(1-benzyl-4-piperidyl)-1-…
| 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) | 4.08 | 11.29 | -50.94 | 2 | 6 | 1 | 71 | 470.659 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.08 | 9.04 | -18.61 | 1 | 6 | 0 | 70 | 469.651 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR4-1-E | C-C Chemokine Receptor Type 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR4_HUMAN | P51679 | C-C Chemokine Receptor Type 4, Human | 10000 | 0.21 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
