Drug Information| Drug ID: | NPD9133 |
| Drug Name: | Histidine |
| Molecular Formula: | C6H9N3O2 |
| Canonical SMILES: | N[C@H](C(=O)O)Cc1cnc[nH]1 |
| Standard InCHI: | "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1" |
| Standard InCHIKey: | HNDVDQJCIGZPNO-YFKPBYRVSA-N |
| Max Developmental Stage: | Phase 2 |
| Max Developmental Stage Source: | DrugBank |
Structural Similarity Between NPASS Natural Products and NPD9133Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| High Similarity | 1.0 | NPC15698 |
| High Similarity | 1.0 | NPC237812 |
| High Similarity | 1.0 | NPC18223 |
| High Similarity | 0.9697 | NPC94930 |
| Remote Similarity | 0.6579 | NPC326518 |
| Remote Similarity | 0.5897 | NPC235501 |
| Remote Similarity | 0.5686 | NPC568944 |
| Remote Similarity | 0.561 | NPC174020 |
| Remote Similarity | 0.549 | NPC575034 |
| Remote Similarity | 0.5405 | NPC571634 |
| Remote Similarity | 0.5294 | NPC119238 |
| Remote Similarity | 0.5263 | NPC15566 |
| Remote Similarity | 0.5135 | NPC111132 |
| Remote Similarity | 0.5091 | NPC596285 |