Ligand
Ligand Name:   S49365a
Ligand Type:   non-polymer
Ligand ID:   COVPDB537 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C(C=C)(=O)N1CCN(CC1)CCC=1C=NN(C1)C1=NC=CC2=C1N=CNC2=O
Standard InChI:   InChI=1S/C19H21N7O2/c1-2-16(27)25-9-7-24(8-10-25)6-4-14-11-23-26(12-14)18-17-15(3-5-20-18)19(28)22-13-21-17/h2-3,5,11-13H,1,4,6-10H2,(H,21,22,28)
Molecular Formula:   C19H20N7O2 Mol. Weight:   379.424 logP:   0.25
HBD:   1 HBA:   6
#Rotatable Bonds:   5 TPSA:   95.72

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Lysine-specific demethylase 5B Q9UGL1 (KDM5B_HUMAN) Homo sapiens (Human) 6EIN B7Z
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