Ligand

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Ligand Name:   (3R)-3-azanyl-4-methyl-1,3-dihydroindol-2-one
HET ID:   BY4 PubChem:   26722529
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O=C1Nc2c([C@H]1N)c(C)ccc2
Standard InChI:   InChI=1S/C9H10N2O/c1-5-3-2-4-6-7(5)8(10)9(12)11-6/h2-4,8H,10H2,1H3,(H,11,12)/t8-/m1/s1
Molecular Formula:   C9H10N2O Mol. Weight:   162.1885 Heavy Atoms:   12
Charge:   0 Is Chiral:   True logP:   1.7852
HBD:   2 HBA:   3 TPSA:   55.12
#Bonds:   14 #Rotatable Bonds:   0 Shape Complexity:   0.22222222
Stereocomplexity:   0.11111111
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Lysine-specific demethylase 5B Q9UGL1 (KDM5B_HUMAN) Homo sapiens 5FYU
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