| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 46 | No |
Popular Name: DNC007057 DNC007057
| 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) | -1.71 | 2.14 | -95.48 | 15 | 16 | 2 | 273 | 639.762 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR4-1-E | C-X-C Chemokine Receptor Type 4 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 130 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR4_HUMAN | P61073 | C-X-C Chemokine Receptor Type 4, Human | 130 | 0.21 | Binding ≤ 1μM |
| CXCR4_HUMAN | P61073 | C-X-C Chemokine Receptor Type 4, Human | 130 | 0.21 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Binding and entry of HIV virion | |
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
