Ligand

Download

Ligand Name:   5-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
HET ID:   DQS PubChem:   118908379
DrugBank:   - ChEMBL:   CHEMBL3785583
Canonical SMILES:   N#Cc1cnn2c1[nH]c(c1cnn(c1)C(C)(C)C)c(c2=O)C(C)C
Standard InChI:   InChI=1S/C17H20N6O/c1-10(2)13-14(12-8-19-22(9-12)17(3,4)5)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,21H,1-5H3
Molecular Formula:   C17H20N6O Mol. Weight:   324.3803 Heavy Atoms:   24
Charge:   0 Is Chiral:   False logP:   2.63618
HBD:   1 HBA:   6 TPSA:   91.77
#Bonds:   27 #Rotatable Bonds:   3 Shape Complexity:   0.4375
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 6BH4
-
-
SHOW