| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 30 | Yes |
N-[5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-2-oxoethoxy]phenyl]-Urea
| 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) | 2.87 | 5.76 | -18.99 | 3 | 7 | 0 | 88 | 434.899 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR1-1-E | C-C Chemokine Receptor Type 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 615 | 0.29 | Binding ≤ 10μM |
| Q9JLY8-1-E | C-C Chemokine Receptor Type 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 59 | 0.34 | Binding ≤ 10μM |
| CCR1-1-E | C-C Chemokine Receptor Type 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1500 | 0.27 | Functional ≤ 10μM |
| CCR4-1-E | C-C Chemokine Receptor Type 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 40 | 0.35 | Functional ≤ 10μM |
| CCR5-1-E | C-C Chemokine Receptor Type 5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 40 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9JLY8_RAT | Q9JLY8 | C-C Chemokine Receptor Type 1, Rat | 59 | 0.34 | Binding ≤ 1μM |
| CCR1_MOUSE | P51675 | C-C Chemokine Receptor Type 1, Mouse | 615 | 0.29 | Binding ≤ 1μM |
| CCR1_HUMAN | P32246 | C-C Chemokine Receptor Type 1, Human | 31 | 0.35 | Binding ≤ 1μM |
| Q9JLY8_RAT | Q9JLY8 | C-C Chemokine Receptor Type 1, Rat | 59 | 0.34 | Binding ≤ 10μM |
| CCR1_MOUSE | P51675 | C-C Chemokine Receptor Type 1, Mouse | 615 | 0.29 | Binding ≤ 10μM |
| CCR1_HUMAN | P32246 | C-C Chemokine Receptor Type 1, Human | 31 | 0.35 | Binding ≤ 10μM |
| CCR1_MOUSE | P51675 | C-C Chemokine Receptor Type 1, Mouse | 1500 | 0.27 | Functional ≤ 10μM |
| CCR1_HUMAN | P32246 | C-C Chemokine Receptor Type 1, Human | 1.5 | 0.41 | Functional ≤ 10μM |
| CCR4_HUMAN | P51679 | C-C Chemokine Receptor Type 4, Human | 40 | 0.35 | Functional ≤ 10μM |
| CCR5_HUMAN | P51681 | C-C Chemokine Receptor Type 5, Human | 40 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Binding and entry of HIV virion | |
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
