Ligand Download |
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Ligand Name: (3R)-3-[(2H-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide | ||
HET ID: 7W7 | PubChem: 123132938 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: NC(=N)N1CCC[C@@H](C1)Cc1cccc2c1OCO2 | ||
Standard InChI: InChI=1S/C14H19N3O2/c15-14(16)17-6-2-3-10(8-17)7-11-4-1-5-12-13(11)19-9-18-12/h1,4-5,10H,2-3,6-9H2,(H3,15,16)/t10-/m1/s1 | ||
Molecular Formula: C14H19N3O2 | Mol. Weight: 261.31955 | Heavy Atoms: 19 |
Charge: 0 | Is Chiral: True | logP: 2.3012 |
HBD: 2 | HBA: 5 | TPSA: 71.57 |
#Bonds: 22 | #Rotatable Bonds: 3 | Shape Complexity: 0.5 |
Stereocomplexity: 0.071428575 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Polycomb protein EED | O75530 (EED_HUMAN) | Homo sapiens | 5U5T | IC50 : 3900.0 nM | Binding MOAD | SHOW |