| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 30 | Yes |
Popular Name: [3-methyl-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-yl]-(3-pyridyl)methanone [3-methyl-4-[3-(3-pyridylmethyla…
| 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) | 3.32 | 9.87 | -57.8 | 2 | 6 | 1 | 82 | 402.474 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.32 | 10.15 | -118.46 | 3 | 6 | 2 | 83 | 403.482 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMT1-1-E | Peptide N-myristoyltransferase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 62 | 0.34 | Binding ≤ 10μM |
| NMT2-1-E | Peptide N-myristoyltransferase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 62 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMT1_HUMAN | P30419 | Peptide N-myristoyltransferase 1, Human | 62 | 0.34 | Binding ≤ 1μM |
| NMT2_HUMAN | O60551 | Peptide N-myristoyltransferase 2, Human | 62 | 0.34 | Binding ≤ 1μM |
| NMT1_HUMAN | P30419 | Peptide N-myristoyltransferase 1, Human | 62 | 0.34 | Binding ≤ 10μM |
| NMT2_HUMAN | O60551 | Peptide N-myristoyltransferase 2, Human | 62 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation, myristolyation of BID and translocation to mitochondria | |
| Inactivation, recovery and regulation of the phototransduction cascade | |
| Late Phase of HIV Life Cycle | |
| Membrane binding and targetting of GAG proteins |
