Ligand Download |
||
Ligand Name: ~{N}-oxidanyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide | ||
HET ID: CQK | PubChem: 135567437 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: ONC(=O)c1nccc(c1)c1n[nH]nn1 | ||
Standard InChI: InChI=1S/C7H6N6O2/c14-7(11-15)5-3-4(1-2-8-5)6-9-12-13-10-6/h1-3,15H,(H,11,14)(H,9,10,12,13) | ||
Molecular Formula: C7H6N6O2 | Mol. Weight: 206.16154 | Heavy Atoms: 15 |
Charge: 0 | Is Chiral: False | logP: -0.2284 |
HBD: 3 | HBA: 7 | TPSA: 116.68 |
#Bonds: 17 | #Rotatable Bonds: 3 | Shape Complexity: 0.0 |
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 | 6F5T |
- |
- |
SHOW |