| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2004 | 25 | Yes |
Popular Name: tert-butyl-[(2S)-3-(2-carbethoxy-3-methyl-benzofuran-4-yl)oxy-2-hydroxy-propyl]ammonium tert-butyl-[(2S)-3-(2-carbethoxy…
| 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) | 3.42 | -0.41 | -47.6 | 3 | 6 | 1 | 85 | 350.435 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1-2-E | Beta-1 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4 | 0.47 | Binding ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4 | 0.47 | Binding ≤ 10μM |
| ADRB3-1-E | Beta-3 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4 | 0.47 | Binding ≤ 10μM |
| NMT1-1-E | Peptide N-myristoyltransferase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1200 | 0.33 | Binding ≤ 10μM |
| NMT2-1-E | Peptide N-myristoyltransferase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1200 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1_HUMAN | P08588 | Beta-1 Adrenergic Receptor, Human | 4.3 | 0.47 | Binding ≤ 1μM |
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 4.3 | 0.47 | Binding ≤ 1μM |
| ADRB3_HUMAN | P13945 | Beta-3 Adrenergic Receptor, Human | 4.3 | 0.47 | Binding ≤ 1μM |
| ADRB1_HUMAN | P08588 | Beta-1 Adrenergic Receptor, Human | 4.3 | 0.47 | Binding ≤ 10μM |
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 4.3 | 0.47 | Binding ≤ 10μM |
| ADRB3_HUMAN | P13945 | Beta-3 Adrenergic Receptor, Human | 4.3 | 0.47 | Binding ≤ 10μM |
| NMT1_HUMAN | P30419 | Peptide N-myristoyltransferase 1, Human | 1200 | 0.33 | Binding ≤ 10μM |
| NMT2_HUMAN | O60551 | Peptide N-myristoyltransferase 2, Human | 1200 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation, myristolyation of BID and translocation to mitochondria | |
| Adrenoceptors | |
| G alpha (s) signalling events | |
| Inactivation, recovery and regulation of the phototransduction cascade | |
| Late Phase of HIV Life Cycle | |
| Membrane binding and targetting of GAG proteins |
