| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 36 | Yes |
Popular Name: N-[(2S)-2-(benzylamino)indan-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide N-[(2S)-2-(benzylamino)indan-5-y…
| 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) | 6.79 | 14.58 | -11.89 | 2 | 3 | 0 | 41 | 486.537 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| APOB-1-E | Apolipoprotein B-100 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 340 | 0.25 | Binding ≤ 10μM |
| MTP-1-E | Microsomal Triglyceride Transfer Protein Large Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4800 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| APOB_HUMAN | P04114 | Apolipoprotein B-100, Human | 340 | 0.25 | Binding ≤ 1μM |
| APOB_HUMAN | P04114 | Apolipoprotein B-100, Human | 340 | 0.25 | Binding ≤ 10μM |
| MTP_HUMAN | P55157 | Microsomal Triglyceride Transfer Protein Large Subunit, Human | 4800 | 0.21 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Cell surface interactions at the vascular wall | |
| Chylomicron-mediated lipid transport | |
| LDL-mediated lipid transport | |
| Platelet sensitization by LDL | |
| Retinoid metabolism and transport | |
| Scavenging by Class A Receptors | |
| Scavenging by Class B Receptors | |
| Scavenging by Class F Receptors | |
| Scavenging by Class H Receptors |
