Ligand

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Ligand Name:   4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile
HET ID:   LQA PubChem:   17581883
DrugBank:   - ChEMBL:   -
Canonical SMILES:   N#Cc1c(cc2n(c1=N)CCc1c2cc2OCOc2c1)c1ccc(c(c1)OC)OC(C)C
Standard InChI:   InChI=1S/C25H23N3O4/c1-14(2)32-21-5-4-15(8-22(21)29-3)17-10-20-18-11-24-23(30-13-31-24)9-16(18)6-7-28(20)25(27)19(17)12-26/h4-5,8-11,14,27H,6-7,13H2,1-3H3
Molecular Formula:   C25H23N3O4 Mol. Weight:   429.46783 Heavy Atoms:   32
Charge:   0 Is Chiral:   False logP:   4.35358
HBD:   1 HBA:   7 TPSA:   89.49
#Bonds:   36 #Rotatable Bonds:   4 Shape Complexity:   0.29166666
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Polycomb protein EED O75530 (EED_HUMAN) Homo sapiens 5H13 IC50 : 11580.0 nM Binding MOAD SHOW