Ligand Download |
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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 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
JIL-1 anchoring and stabilizing protein, isoform A | Q9VAA9 (Q9VAA9_DROME) | Drosophila melanogaster | 6KCU |
- |
- |
SHOW |
Uncharacterized N-acetyltransferase SAMEA2070299_04524 | A0A1M9A4M7 (A0A1M9A4M7_9MYCO) | Mycobacteroides abscessus | 6RFY |
- |
- |
SHOW |
Sucrose 6(F)-phosphate phosphorylase | D9TT09 (SUCPP_THETC) | Thermoanaerobacterium thermosaccharolyticum | 6S9V |
- |
- |
SHOW |
DNA (cytosine-5)-methyltransferase 3B | Q9UBC3 (DNM3B_HUMAN) | Homo sapiens | 3QKJ |
- |
- |
SHOW |