P233 "6xd1-a"
| Id | 233 |
| Inchikey | CKFCJCLSPLLPGD-UUWRZZSWSA-N |
| Smiles | CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)N1CCN(C(=O)C(C)(c2ccccc2)c2ccccc2)[C@@H](C(=O)O)C1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 77.60683144913139 |
| Placement | Placement_233 "6xd1 w/ C233" |
| Tag | Type | Origin |
|---|---|---|
"6xd1-a" [Observation Code] |
Observation Code | Fragalysis |
"30a - 6xd1/A/1003" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"30 - 6xd1/A/1003/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F2aw - 6xd1/A/1003/1" [CrystalformSites] |
CrystalformSites | Fragalysis/XCA |
"A1 - all" [Quatassemblies] |
Quatassemblies | Fragalysis/XCA |
"F2 - C2221" [Crystalforms] |
Crystalforms | Fragalysis/XCA |
"DENV-3" [Other] |
Other | Fragalysis Curator |
"external" [Other] |
Other | Fragalysis Curator |
"upload_1 2024-12-06" [Other] |
Other | Fragalysis Curator |