| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 37 | 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) | 4.86 | 12.55 | -47.73 | 2 | 6 | 1 | 71 | 538.656 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.86 | 10.05 | -18.51 | 1 | 6 | 0 | 70 | 537.648 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BKRB1-1-E | Bradykinin B1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 62 | 0.27 | Binding ≤ 10μM |
| BKRB1-1-E | Bradykinin B1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 160 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BKRB1_HUMAN | P46663 | Bradykinin B1 Receptor, Human | 62 | 0.27 | Binding ≤ 1μM |
| BKRB1_HUMAN | P46663 | Bradykinin B1 Receptor, Human | 62 | 0.27 | Binding ≤ 10μM |
| BKRB1_HUMAN | P46663 | Bradykinin B1 Receptor, Human | 160 | 0.26 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
