In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2008 | 31 | Yes |
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) | 4.75 | 14.72 | -55.22 | 0 | 5 | -1 | 71 | 412.513 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.75 | 15.15 | -60.99 | 1 | 5 | 0 | 72 | 413.521 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.75 | 14.97 | -61.13 | 1 | 5 | 0 | 72 | 413.521 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.75 | 15.4 | -105.79 | 2 | 5 | 1 | 73 | 414.529 | 7 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AGTRA-1-E | Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 110 | 0.31 | Binding ≤ 10μM |
AGTRB-1-E | Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 110 | 0.31 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AGTRA_RAT | P25095 | Angiotensin II Type 1a (AT-1a) Receptor, Rat | 110 | 0.31 | Binding ≤ 1μM |
AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 110 | 0.31 | Binding ≤ 1μM |
AGTRA_RAT | P25095 | Angiotensin II Type 1a (AT-1a) Receptor, Rat | 110 | 0.31 | Binding ≤ 10μM |
AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 110 | 0.31 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (q) signalling events | |
Peptide ligand-binding receptors |