Ligand Download |
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Ligand Name: 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile | ||
HET ID: 6E8 | PubChem: 82273434 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: N#Cc1cnn2c1[nH]c(C)c(c2=O)C(C)C | ||
Standard InChI: InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3 | ||
Molecular Formula: C11H12N4O | Mol. Weight: 216.23918 | Heavy Atoms: 16 |
Charge: 0 | Is Chiral: False | logP: 1.32608 |
HBD: 1 | HBA: 4 | TPSA: 73.95 |
#Bonds: 18 | #Rotatable Bonds: 1 | Shape Complexity: 0.4 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Lysine-specific demethylase 5A | P29375 (KDM5A_HUMAN) | Homo sapiens | 5IVE | Kd : 27.0 nM, Kd : 20.0 nM, Kd : 1500.0 nM, Kd : 490.0 nM | BindingDB | SHOW |
Lysine-specific demethylase 5A | P29375 (KDM5A_HUMAN) | Homo sapiens | 5IVE | Kd : 27.0 nM | Binding MOAD | SHOW |