| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 31 | Yes |
2-BUTYL-4-CHLORO-1-[(2'- METHYL]-1-H-IMIDAZOLE-5-CARBOXYLICACID
| 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) | 5.10 | 11.47 | -95.77 | 0 | 8 | -2 | 111 | 434.887 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.10 | 11.86 | -71.42 | 1 | 8 | -1 | 112 | 435.895 | 8 | ↓ |
| 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 | 6 | 0.37 | Binding ≤ 10μM |
| AGTR2-1-E | Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| AGTRA-1-E | Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7 | 0.37 | Binding ≤ 10μM |
| AGTRB-1-E | Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.37 | Binding ≤ 10μM |
| AGTR1-1-E | Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.37 | Functional ≤ 10μM |
| AGTR2-1-E | Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.39 | Functional ≤ 10μM |
| AGTRB-1-E | Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 37 | 0.34 | Functional ≤ 10μM |
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 26 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 0.3 | 0.43 | Binding ≤ 1μM |
| AGTR1_BOVIN | P25104 | Angiotensin II Type 1a (AT-1a) Receptor, Bovin | 22 | 0.35 | Binding ≤ 1μM |
| AGTRA_RAT | P25095 | Angiotensin II Type 1a (AT-1a) Receptor, Rat | 1.3 | 0.40 | Binding ≤ 1μM |
| AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 1.3 | 0.40 | Binding ≤ 1μM |
| AGTR2_HUMAN | P50052 | Angiotensin II Type 2 (AT-2) Receptor, Human | 0.3 | 0.43 | Binding ≤ 1μM |
| AGTR2_RAT | P35351 | Angiotensin II Type 2 (AT-2) Receptor, Rat | 37 | 0.34 | Binding ≤ 1μM |
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 0.3 | 0.43 | Binding ≤ 10μM |
| AGTR1_BOVIN | P25104 | Angiotensin II Type 1a (AT-1a) Receptor, Bovin | 22 | 0.35 | Binding ≤ 10μM |
| AGTRA_RAT | P25095 | Angiotensin II Type 1a (AT-1a) Receptor, Rat | 1.3 | 0.40 | Binding ≤ 10μM |
| AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 1.3 | 0.40 | Binding ≤ 10μM |
| AGTR2_HUMAN | P50052 | Angiotensin II Type 2 (AT-2) Receptor, Human | 0.3 | 0.43 | Binding ≤ 10μM |
| AGTR2_RAT | P35351 | Angiotensin II Type 2 (AT-2) Receptor, Rat | 37 | 0.34 | Binding ≤ 10μM |
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 1.8 | 0.39 | Functional ≤ 10μM |
| AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 37 | 0.34 | Functional ≤ 10μM |
| AGTR2_HUMAN | P50052 | Angiotensin II Type 2 (AT-2) Receptor, Human | 1.8 | 0.39 | Functional ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 26.4 | 0.34 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
