Ligand

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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