Ligand

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Ligand Name:   (3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one
HET ID:   0TI PubChem:   6926189
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O=C1Nc2c([C@H]1O)cc(cc2)F
Standard InChI:   InChI=1S/C8H6FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)/t7-/m1/s1
Molecular Formula:   C8H6FNO2 Mol. Weight:   167.13715 Heavy Atoms:   12
Charge:   0 Is Chiral:   True logP:   0.9492
HBD:   2 HBA:   3 TPSA:   49.33
#Bonds:   14 #Rotatable Bonds:   0 Shape Complexity:   0.125
Stereocomplexity:   0.125
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 5FZH
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