Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO17751 | Rhizoma wenyujin concisum | NA | NA | NA | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT948 | Individual Protein | Carbonic anhydrase IX | Homo sapiens | Activity | = | 91 | % | 18295485 |
NPT948 | Individual Protein | Carbonic anhydrase IX | Homo sapiens | Activity | = | 100 | % | 18295485 |
NPT233 | Individual Protein | Carbonic anhydrase II | Homo sapiens | Activity | = | 84 | % | 18295485 |
NPT233 | Individual Protein | Carbonic anhydrase II | Homo sapiens | Activity | = | 74 | % | 18295485 |
NPT948 | Individual Protein | Carbonic anhydrase IX | Homo sapiens | Activity | = | 99 | % | 18295485 |
NPT233 | Individual Protein | Carbonic anhydrase II | Homo sapiens | Activity | = | 66 | % | 18295485 |
NPT948 | Individual Protein | Carbonic anhydrase IX | Homo sapiens | Activity | = | 96 | % | 18295485 |
NPT948 | Individual Protein | Carbonic anhydrase IX | Homo sapiens | Activity | = | 97 | % | 18295485 |
NPT233 | Individual Protein | Carbonic anhydrase II | Homo sapiens | Activity | = | 55 | % | 18295485 |
NPT948 | Individual Protein | Carbonic anhydrase IX | Homo sapiens | Activity | = | 90 | % | 18295485 |
NPT233 | Individual Protein | Carbonic anhydrase II | Homo sapiens | Activity | = | 41 | % | 18295485 |
NPT948 | Individual Protein | Carbonic anhydrase IX | Homo sapiens | Activity | = | 87 | % | 18295485 |
NPT948 | Individual Protein | Carbonic anhydrase IX | Homo sapiens | Activity | = | 89 | % | 18295485 |
NPT233 | Individual Protein | Carbonic anhydrase II | Homo sapiens | Activity | = | 36 | % | 18295485 |
NPT948 | Individual Protein | Carbonic anhydrase IX | Homo sapiens | Activity | = | 84 | % | 18295485 |
NPT948 | Individual Protein | Carbonic anhydrase IX | Homo sapiens | Activity | = | 86 | % | 18295485 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
●  The left chart: Distribution of similarity level between NPC85721 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
0.7826 | Intermediate Similarity | NPC317406 |
0.6667 | Remote Similarity | NPC261397 |
0.6552 | Remote Similarity | NPC317060 |
0.65 | Remote Similarity | NPC2724 |
0.6429 | Remote Similarity | NPC327718 |
0.6 | Remote Similarity | NPC202651 |
0.5909 | Remote Similarity | NPC149567 |
0.5714 | Remote Similarity | NPC320704 |
0.5652 | Remote Similarity | NPC34153 |
0.5652 | Remote Similarity | NPC311000 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC85721 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
PubChem CID   | 1567 |
ChEMBL   | CHEMBL254951 |
ZINC   |
Molecular Weight:   | 78.01 |
ALogP:   | 0.0739 |
MLogP:   | 1.46 |
XLogP:   | 0.173 |
# Rotatable Bonds:   | 3 |
Polar Surface Area:   | 59.03 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 4 |