| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 19 | No |
| 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) | 2.88 | 3.91 | -52.23 | 0 | 4 | -1 | 70 | 282.385 | 5 | ↓ |
| Ref Reference (pH 7) | 2.88 | 3.39 | -9.79 | 1 | 4 | 0 | 67 | 283.393 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.70 | 5.1 | -14.46 | 1 | 4 | 0 | 63 | 283.393 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR1-1-E | Interleukin-8 Receptor A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5 | 0.61 | Functional ≤ 10μM |
| CXCR2-1-E | C-X-C Chemokine Receptor Type 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5 | 0.61 | Functional ≤ 10μM |
| Z100521-1-O | L1.2 (Pre-B Cells) (cluster #1 Of 1), Other | Other | 80 | 0.52 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR1_HUMAN | P25024 | Interleukin-8 Receptor A, Human | 5.3 | 0.61 | Functional ≤ 10μM |
| CXCR2_HUMAN | P25025 | Interleukin-8 Receptor B, Human | 5.3 | 0.61 | Functional ≤ 10μM |
| Z100521 | Z100521 | L1.2 (Pre-B Cells) | 5.6 | 0.61 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
