In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 8th, 2009 | 20 | 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) | 4.67 | 7.92 | -48.44 | 0 | 4 | -1 | 59 | 312.128 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
TTHY-1-E | Transthyretin (cluster #1 Of 3), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
TTHY-1-E | Transthyretin (cluster #1 Of 1), Eukaryotic | Eukaryotes | 475 | 0.44 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
TTHY_HUMAN | P02766 | Transthyretin, Human | 0.2 | 0.68 | Binding ≤ 1μM |
TTHY_HUMAN | P02766 | Transthyretin, Human | 0.2 | 0.68 | Binding ≤ 10μM |
TTHY_HUMAN | P02766 | Transthyretin, Human | 475 | 0.44 | Functional ≤ 10μM |
Description | Species |
---|---|
Amyloids | |
Non-integrin membrane-ECM interactions | |
Retinoid cycle disease events | |
Retinoid metabolism and transport | |
The canonical retinoid cycle in rods (twilight vision) |