Ligand

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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