Ligand

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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
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