Ligand

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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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