In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 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) | 4.60 | 10.53 | -51.51 | 3 | 7 | 1 | 92 | 568.682 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.60 | 9.18 | -19.34 | 2 | 7 | 0 | 88 | 567.674 | 11 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
BKRB1-1-E | Bradykinin B1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 21 | 0.28 | Binding ≤ 10μM |
BKRB1-1-E | Bradykinin B1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 46 | 0.26 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
BKRB1_HUMAN | P46663 | Bradykinin B1 Receptor, Human | 21 | 0.28 | Binding ≤ 1μM |
BKRB1_HUMAN | P46663 | Bradykinin B1 Receptor, Human | 21 | 0.28 | Binding ≤ 10μM |
BKRB1_HUMAN | P46663 | Bradykinin B1 Receptor, Human | 46 | 0.26 | Functional ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G alpha (q) signalling events | |
Peptide ligand-binding receptors |
No pre-computed analogs available. Try a structural similarity search.