Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|
Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO10263 | Alternaria tagetica | Species | Pleosporaceae | Eukaryota | UNPD* | |||
NPO10316 | Glechoma longituba | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO10353 | Rauvolfia tetraphylla | Species | Apocynaceae | Eukaryota | UNPD* | |||
NPO11115 | Aspilia mossambicensis | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO11472.1 | Glechoma hederacea | Under-species | NA | NA |
PMID[21530248] |
|||
NPO11816.1 | Vigna unguiculata subsp. unguiculata | Subspecies | Fabaceae | Eukaryota | UNPD* | |||
NPO1361 | Chenopodium vulvaria | Species | Chenopodiaceae | Eukaryota | UNPD* | |||
NPO14529 | Asterias rubens | Species | Asteriidae | Eukaryota | UNPD* | |||
NPO14622 | Micromonospora lacustris | Species | Micromonosporaceae | Bacteria | UNPD* | |||
NPO14664 | Stevia salicifolia | Species | Asteraceae | Eukaryota | UNPD* |
Activity Type | # Activity |
---|---|
IC50 | 9 |
Others | 9 |
Activity Type | # Activity |
---|---|
Cell Line | 1 |
Individual Protein | 15 |
Others | 2 |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1089 | Individual Protein | Matrix metalloproteinase 12 | Homo sapiens | IC50 | = | 2750 | nM | 22658537 |
NPT1089 | Individual Protein | Matrix metalloproteinase 12 | Homo sapiens | Inhibition | > | 30 | % | 22658537 |
NPT1090 | Individual Protein | Matrix metalloproteinase 13 | Homo sapiens | IC50 | = | 29030 | nM | 22658537 |
NPT1090 | Individual Protein | Matrix metalloproteinase 13 | Homo sapiens | Inhibition | > | 30 | % | 22658537 |
NPT15 | Cell Line | Jurkat | Homo sapiens | Inhibition | = | 54.7 | % | 17418581 |
NPT2 | Others | Unspecified | IC50 | = | 80000 | nM | 17418581 | |
NPT2 | Others | Unspecified | Inhibition | = | 44.3 | % | 21530248 | |
NPT280 | Individual Protein | Matrix metalloproteinase 9 | Homo sapiens | IC50 | = | 610 | nM | 22658537 |
NPT280 | Individual Protein | Matrix metalloproteinase 9 | Homo sapiens | Inhibition | > | 30 | % | 22658537 |
NPT40 | Individual Protein | 72 kDa type IV collagenase | Rattus norvegicus | IC50 | > | 100000 | nM | 19711986 |
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 NPC168799 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).
range | Tanimoto Coefficient |
---|---|
0-0.1 | 197 |
0.1-0.2 | 851 |
0.2-0.3 | 1868 |
0.3-0.4 | 4339 |
0.4-0.5 | 7644 |
0.5-0.6 | 4196 |
0.6-0.7 | 5939 |
0.7-0.8 | 5338 |
0.8-0.85 | 368 |
0.85-0.9 | 102 |
0.9-0.95 | 39 |
0.95-1 | 8 |
Similarity Score | Similarity Level | Natural Product ID |
---|
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
● The left chart: Distribution of similarity level between NPC168799 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range | Tanimoto Coefficient |
---|---|
0-0.1 | 208 |
0.1-0.2 | 739 |
0.2-0.3 | 1415 |
0.3-0.4 | 2397 |
0.4-0.5 | 2235 |
0.5-0.6 | 1301 |
0.6-0.7 | 726 |
0.7-0.8 | 135 |
0.8-0.85 | 4 |
0.85-0.9 | 0 |
0.9-0.95 | 1 |
0.95-1 | 0 |
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|
PubChem CID | 6479915 |
ChEMBL | CHEMBL241405 |
ZINC |
Molecular Weight: | 374.10 |
ALogP: | -1.6547 |
MLogP: | 2.67 |
XLogP: | 2.404 |
# Rotatable Bonds: | 13 |
Polar Surface Area: | 133.52 |
# H-Bond Aceptor: | 4 |
# H-Bond Donor: | 4 |
# Rings: | 2 |
# Heavy Atoms: | 27 |