| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 17th, 2006 | 42 | No |
Popular Name: 3-(2-naphthylsulfonylamino)-3-phenyl-N-[7-(1-piperidylmethyl)chroman-4-yl]-propanamide 3-(2-naphthylsulfonylamino)-3-ph…
| 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) | 4.66 | 13.29 | -47.38 | 3 | 7 | 1 | 89 | 584.762 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BKRB1-1-E | Bradykinin B1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 17 | 0.26 | Binding ≤ 10μM |
| BKRB1-1-E | Bradykinin B1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 418 | 0.21 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BKRB1_HUMAN | P46663 | Bradykinin B1 Receptor, Human | 17 | 0.26 | Binding ≤ 1μM |
| BKRB1_HUMAN | P46663 | Bradykinin B1 Receptor, Human | 17 | 0.26 | Binding ≤ 10μM |
| BKRB1_HUMAN | P46663 | Bradykinin B1 Receptor, Human | 418 | 0.21 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
