Ligand |
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Ligand Name: ZEN-3219 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB809 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: Cc1noc(C)c1-c2cn(c(=O)cc2)Cc3ccc(cc3)[C@H]4CO4 | ||
Standard InChI: InChI=1S/C19H18N2O3/c1-12-19(13(2)24-20-12)16-7-8-18(22)21(10-16)9-14-3-5-15(6-4-14)17-11-23-17/h3-8,10,17H,9,11H2,1-2H3/t17-/m1/s1 | ||
Molecular Formula: C19H18N2O3 | Mol. Weight: 322.13174 | logP: 3.23974 |
HBD: 0 | HBA: 5 | |
#Rotatable Bonds: 4 | TPSA: 60.56 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Bromodomain-containing protein 4 | O60885 (BRD4_HUMAN) | Homo sapiens (Human) | 6CZU | FP7 | IC50 : 480 nM | PDBBind | SHOW |