| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 31 | Yes |
| 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) | 3.19 | 8.64 | -51.69 | 2 | 7 | -1 | 114 | 419.505 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.19 | 6.66 | -13.27 | 3 | 7 | 0 | 111 | 420.513 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DGAT1-1-E | Diacylglycerol O-acyltransferase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.36 | Binding ≤ 10μM |
| THIL-1-E | Acetyl-CoA Acetyltransferase, Mitochondrial (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5200 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DGAT1_RAT | Q9ERM3 | Diacylglycerol O-acyltransferase 1, Rat | 9 | 0.36 | Binding ≤ 1μM |
| DGAT1_HUMAN | O75907 | Diacylglycerol O-acyltransferase 1, Human | 15 | 0.35 | Binding ≤ 1μM |
| THIL_HUMAN | P24752 | Acetyl-CoA Acetyltransferase, Mitochondrial, Human | 5200 | 0.24 | Binding ≤ 10μM |
| DGAT1_HUMAN | O75907 | Diacylglycerol O-acyltransferase 1, Human | 15 | 0.35 | Binding ≤ 10μM |
| DGAT1_RAT | Q9ERM3 | Diacylglycerol O-acyltransferase 1, Rat | 9 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acyl chain remodeling of DAG and TAG | |
| Branched-chain amino acid catabolism | |
| Synthesis of Ketone Bodies | |
| Triglyceride Biosynthesis | |
| Utilization of Ketone Bodies |
