| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 31 | Yes |
Popular Name: 2-propyl-3-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[5,4-c]pyridin-4-one 2-propyl-3-[[4-[2-(1H-tetrazol-5…
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) | 3.78 | 9.87 | -50.69 | 1 | 8 | -1 | 103 | 410.461 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.24 | 8.17 | -91.95 | 1 | 8 | -1 | 108 | 410.461 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 10.27 | -57.86 | 2 | 8 | 0 | 105 | 411.469 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.78 | 10.12 | -38.63 | 3 | 8 | 1 | 106 | 412.477 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.78 | 10.21 | -38.7 | 3 | 8 | 1 | 106 | 412.477 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTR1-1-E | Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1 | 0.41 | Binding ≤ 10μM |
| AGTR2-1-E | Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.41 | Binding ≤ 10μM |
| AGTRB-1-E | Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 0.7 | 0.41 | Binding ≤ 1μM |
| AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 1.1 | 0.40 | Binding ≤ 1μM |
| AGTR2_HUMAN | P50052 | Angiotensin II Type 2 (AT-2) Receptor, Human | 0.7 | 0.41 | Binding ≤ 1μM |
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 0.7 | 0.41 | Binding ≤ 10μM |
| AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 1.1 | 0.40 | Binding ≤ 10μM |
| AGTR2_HUMAN | P50052 | Angiotensin II Type 2 (AT-2) Receptor, Human | 0.7 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
