In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2010 | 40 | No |
None
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) | 6.34 | 16.97 | -122.06 | 3 | 6 | 2 | 54 | 623.456 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.34 | 12.69 | -9.08 | 1 | 6 | 0 | 52 | 621.44 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.34 | 14.91 | -50.03 | 2 | 6 | 1 | 53 | 622.448 | 7 | ↓ |
Lo Low (pH 4.5-6) | 6.34 | 14.73 | -43.29 | 2 | 6 | 1 | 53 | 622.448 | 7 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CXCR3-2-E | C-X-C Chemokine Receptor Type 3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 86 | 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 | 86 | 0.25 | Binding ≤ 1μM |
CXCR3_HUMAN | P49682 | C-X-C Chemokine Receptor Type 3, Human | 86 | 0.25 | Binding ≤ 10μM |
Description | Species |
---|---|
Chemokine receptors bind chemokines | |
G alpha (i) signalling events |