PDB Entry (6kcu) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6kcu | Resolution: 1.65 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: None | |
Protein |
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Protein Name: JIL-1 anchoring and stabilizing protein, isoform A | |
Protein Class: TRANSCRIPTION REGULATOR | |
Uniprot ID/ACC: Q9VAA9 (Q9VAA9_DROME) | Organism: Drosophila melanogaster |
Gene Symbol: Jasper | Gene ID: 43576 |
Pocket Descriptors | |
Volume: 238.912 | Depth: 14.2773 |
Hydrophobicity: 0.735294 | Drug Score: 0.0689351 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | ||
HET ID: BTB | PubChem: 81462 | |
DrugBank: DB02748 | ChEMBL: CHEMBL1229649 | |
Canonical SMILES: OCCN(C(CO)(CO)CO)CCO | ||
Standard InChI: InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2 | ||
Molecular Formula: C8H19NO5 | Mol. Weight: 209.24016 | Heavy Atoms: 14 |
Charge: 0 | Is Chiral: False | logP: -3.0113 |
HBD: 5 | HBA: 6 | TPSA: 104.39 |
#Bonds: 13 | #Rotatable Bonds: 8 | Shape Complexity: 1.0 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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