Ligand

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Ligand Name:   ~{N}-[(~{E})-(4-methylphenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide
HET ID:   FJ8 PubChem:   145945994
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC1=CC=C(C=C1)C=NNC(=O)CC2=NNN=N2
Standard InChI:   InChI=1S/C11H12N6O/c1-8-2-4-9(5-3-8)7-12-15-11(18)6-10-13-16-17-14-10/h2-5,7H,6H2,1H3,(H,15,18)(H,13,14,16,17)
Molecular Formula:   C11H12N6O Mol. Weight:   244.25258 Heavy Atoms:   18
Charge:   0 Is Chiral:   False logP:   0.5918
HBD:   2 HBA:   6 TPSA:   95.92
#Bonds:   19 #Rotatable Bonds:   5 Shape Complexity:   0.18181819
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 6H10
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