Ligand

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Ligand Name:   2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
HET ID:   BBO PubChem:   2826521
DrugBank:   - ChEMBL:   CHEMBL4069989
Canonical SMILES:   O=c1n(CCCN2CCOCC2)c(=O)c2c3c1cccc3ccc2
Standard InChI:   InChI=1S/C19H20N2O3/c22-18-15-6-1-4-14-5-2-7-16(17(14)15)19(23)21(18)9-3-8-20-10-12-24-13-11-20/h1-2,4-7H,3,8-13H2
Molecular Formula:   C19H20N2O3 Mol. Weight:   324.3737 Heavy Atoms:   24
Charge:   0 Is Chiral:   False logP:   1.6129
HBD:   0 HBA:   5 TPSA:   51.54
#Bonds:   27 #Rotatable Bonds:   4 Shape Complexity:   0.36842105
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Group II chitinase A0A221ZS22 (A0A221ZS22_OSTFU) Homo sapiens 6JAW Ki : 2180.0 nM Binding MOAD SHOW