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Ligand Name: 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine | ||
HET ID: 2OD | PubChem: 76285486, 51351707 | |
DrugBank: - | ChEMBL: CHEMBL3109630 | |
Canonical SMILES: COc1cc2c(cc1OCCCN1CCCC1)N=C(C12CCC1)N | ||
Standard InChI: InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21) | ||
Molecular Formula: C19H27N3O2 | Mol. Weight: 329.43658 | Heavy Atoms: 24 |
Charge: 0 | Is Chiral: False | logP: 3.0577 |
HBD: 1 | HBA: 5 | TPSA: 60.08 |
#Bonds: 27 | #Rotatable Bonds: 6 | Shape Complexity: 0.6315789 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Histone-lysine N-methyltransferase EHMT2 | Q96KQ7 (EHMT2_HUMAN) | Homo sapiens | 4NVQ | IC50 : 3.3 nM, IC50 : 3.0 nM | BindingDB | SHOW |
Histone-lysine N-methyltransferase EHMT2 | Q96KQ7 (EHMT2_HUMAN) | Homo sapiens | 4NVQ | IC50 : 3.3 nM | Binding MOAD | SHOW |
Spindlin-1 | Q9Y657 (SPIN1_HUMAN) | Homo sapiens | 6I8Y |
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SHOW |