Ligand Download |
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Ligand Name: ethyl 2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoate | ||
HET ID: BXH | PubChem: 543616 | |
DrugBank: - | ChEMBL: CHEMBL1528738 | |
Canonical SMILES: CCOC(=O)Cc1n[nH]nn1 | ||
Standard InChI: InChI=1S/C5H8N4O2/c1-2-11-5(10)3-4-6-8-9-7-4/h2-3H2,1H3,(H,6,7,8,9) | ||
Molecular Formula: C5H8N4O2 | Mol. Weight: 156.14262 | Heavy Atoms: 11 |
Charge: 0 | Is Chiral: False | logP: -0.6947 |
HBD: 1 | HBA: 5 | TPSA: 80.76 |
#Bonds: 12 | #Rotatable Bonds: 4 | Shape Complexity: 0.6 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Lysine-specific demethylase 4D | Q6B0I6 (KDM4D_HUMAN) | Homo sapiens | 6ETT |
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