Ligand

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Ligand Name:   8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile
HET ID:   B6T PubChem:   133054007
DrugBank:   - ChEMBL:   -
Canonical SMILES:   N#Cc1cnc2n1nc(c1ccccc1)c(c2O)C(C)C
Standard InChI:   InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-20-12(8-17)9-18-16(20)15(13)21/h3-7,9-10,21H,1-2H3
Molecular Formula:   C16H14N4O Mol. Weight:   278.30856 Heavy Atoms:   21
Charge:   0 Is Chiral:   False logP:   3.09698
HBD:   1 HBA:   5 TPSA:   74.21
#Bonds:   23 #Rotatable Bonds:   2 Shape Complexity:   0.2
Stereocomplexity:   0.0
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 6EIU
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