Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT178 | Individual Protein | Protein-tyrosine phosphatase 1B | Homo sapiens | Ki | = | 17000000 | nM | 18595691 |
NPT178 | Individual Protein | Protein-tyrosine phosphatase 1B | Homo sapiens | Activity | = | 88 | % | 18595691 |
NPT178 | Individual Protein | Protein-tyrosine phosphatase 1B | Homo sapiens | Activity | = | 49 | % | 18595691 |
NPT178 | Individual Protein | Protein-tyrosine phosphatase 1B | Homo sapiens | Activity | = | 10 | % | 18595691 |
NPT178 | Individual Protein | Protein-tyrosine phosphatase 1B | Homo sapiens | Activity | = | 73 | % | 18595691 |
NPT178 | Individual Protein | Protein-tyrosine phosphatase 1B | Homo sapiens | Activity | = | 29 | % | 18595691 |
NPT2 | Others | Unspecified | Potency | 13333.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 2683.2 | nM | PubChem BioAssay data set |
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 NPC283245 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 |
---|---|---|
0.8889 | High Similarity | NPC68873 |
0.7895 | Intermediate Similarity | NPC137050 |
0.7619 | Intermediate Similarity | NPC181153 |
0.75 | Intermediate Similarity | NPC37493 |
0.7143 | Intermediate Similarity | NPC260610 |
0.7 | Intermediate Similarity | NPC7922 |
0.6522 | Remote Similarity | NPC23508 |
0.6522 | Remote Similarity | NPC8187 |
0.6522 | Remote Similarity | NPC203105 |
0.64 | Remote Similarity | NPC286233 |
0.64 | Remote Similarity | NPC230726 |
0.64 | Remote Similarity | NPC149209 |
0.64 | Remote Similarity | NPC314668 |
0.625 | Remote Similarity | NPC110107 |
0.6 | Remote Similarity | NPC3693 |
0.6 | Remote Similarity | NPC41485 |
0.6 | Remote Similarity | NPC28246 |
0.6 | Remote Similarity | NPC32280 |
0.6 | Remote Similarity | NPC165122 |
0.5926 | Remote Similarity | NPC316272 |
0.5909 | Remote Similarity | NPC173862 |
0.5833 | Remote Similarity | NPC307812 |
0.5833 | Remote Similarity | NPC102686 |
0.5769 | Remote Similarity | NPC166804 |
0.5769 | Remote Similarity | NPC201132 |
0.5769 | Remote Similarity | NPC3343 |
0.5769 | Remote Similarity | NPC127134 |
0.5769 | Remote Similarity | NPC211250 |
0.5714 | Remote Similarity | NPC122768 |
0.5714 | Remote Similarity | NPC151140 |
0.5714 | Remote Similarity | NPC61066 |
0.5714 | Remote Similarity | NPC174368 |
0.5714 | Remote Similarity | NPC292641 |
0.5714 | Remote Similarity | NPC104195 |
0.56 | Remote Similarity | NPC158994 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC283245 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.8889 | High Similarity | NPD7364 | Approved |
0.8235 | Intermediate Similarity | NPD49 | Approved |
0.8235 | Intermediate Similarity | NPD7363 | Approved |
0.8235 | Intermediate Similarity | NPD48 | Approved |
0.8235 | Intermediate Similarity | NPD50 | Approved |
0.8235 | Intermediate Similarity | NPD105 | Approved |
0.8235 | Intermediate Similarity | NPD7365 | Approved |
0.8235 | Intermediate Similarity | NPD7362 | Approved |
0.8235 | Intermediate Similarity | NPD47 | Approved |
0.7895 | Intermediate Similarity | NPD8200 | Phase 2 |
0.7619 | Intermediate Similarity | NPD8201 | Phase 2 |
0.6818 | Remote Similarity | NPD8616 | Clinical (unspecified phase) |
0.6818 | Remote Similarity | NPD8615 | Phase 2 |
0.64 | Remote Similarity | NPD8189 | Approved |
0.6087 | Remote Similarity | NPD8190 | Phase 2 |
0.5909 | Remote Similarity | NPD7357 | Approved |
0.5909 | Remote Similarity | NPD7356 | Approved |
0.5769 | Remote Similarity | NPD8989 | Approved |
PubChem CID   | 6585 |
ChEMBL   | CHEMBL444965 |
ZINC   |
Molecular Weight:   | 76.02 |
ALogP:   | -0.5415 |
MLogP:   | 1.35 |
XLogP:   | -0.579 |
# Rotatable Bonds:   | 3 |
Polar Surface Area:   | 46.53 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 5 |