| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 29 | Yes |
Popular Name: 2-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]benzoate 2-[4-[(2-butylbenzimidazol-1-yl)…
| 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) | 6.13 | 1.28 | -62.58 | 0 | 4 | -1 | 57 | 383.471 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.73 | 1.44 | -61.56 | 1 | 4 | 0 | 59 | 384.479 | 7 | ↓ |
| 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 | 2300 | 0.27 | Binding ≤ 10μM |
| AGTR2-1-E | Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2300 | 0.27 | Binding ≤ 10μM |
| AGTRB-1-E | Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 400 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 400 | 0.31 | Binding ≤ 1μM |
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 2300 | 0.27 | Binding ≤ 10μM |
| AGTR1_BOVIN | P25104 | Angiotensin II Type 1a (AT-1a) Receptor, Bovin | 1100 | 0.29 | Binding ≤ 10μM |
| AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 400 | 0.31 | Binding ≤ 10μM |
| AGTR2_HUMAN | P50052 | Angiotensin II Type 2 (AT-2) Receptor, Human | 1100 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
