| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 39 | 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) | 5.01 | 15.95 | -59.2 | 1 | 6 | 1 | 60 | 541.569 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.01 | 13.42 | -12.73 | 0 | 6 | 0 | 58 | 540.561 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR3-1-E | C-X-C Chemokine Receptor Type 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 88 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR3_HUMAN | P49682 | C-X-C Chemokine Receptor Type 3, Human | 88 | 0.25 | Binding ≤ 1μM |
| CXCR3_HUMAN | P49682 | C-X-C Chemokine Receptor Type 3, Human | 88 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
