In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 4th, 2006 | 26 | No |
Popular Name: triptonide triptonide
None
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) | 0.38 | -2.35 | -18.58 | 0 | 6 | 0 | 80 | 358.39 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Therapy | immunosuppressant, antineoplastic | SMDC MicroSource |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80166-2-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #2 Of 12), Other | Other | 8 | 0.44 | Functional ≤ 10μM |
Z80390-2-O | PC-3 (Prostate Carcinoma Cells) (cluster #2 Of 10), Other | Other | 600 | 0.34 | Functional ≤ 10μM |
Z80493-2-O | SK-OV-3 (Ovarian Carcinoma Cells) (cluster #2 Of 6), Other | Other | 8 | 0.44 | Functional ≤ 10μM |
Z80682-3-O | A549 (Lung Carcinoma Cells) (cluster #3 Of 11), Other | Other | 53 | 0.39 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 53 | 0.39 | Functional ≤ 10μM |
Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 8.4 | 0.43 | Functional ≤ 10μM |
Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 600 | 0.34 | Functional ≤ 10μM |
Z80493 | Z80493 | SK-OV-3 (Ovarian Carcinoma Cells) | 8 | 0.44 | Functional ≤ 10μM |