Ligand

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Ligand Name:   [3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxy-phenyl]methanamine
HET ID:   JC5 PubChem:   138455182
DrugBank:   - ChEMBL:   -
Canonical SMILES:   NCc1cc(OCCCN2Cc3c(C2)cccc3)c(c(c1)CN)OC
Standard InChI:   InChI=1S/C20H27N3O2/c1-24-20-18(12-22)9-15(11-21)10-19(20)25-8-4-7-23-13-16-5-2-3-6-17(16)14-23/h2-3,5-6,9-10H,4,7-8,11-14,21-22H2,1H3
Molecular Formula:   C20H27N3O2 Mol. Weight:   341.44727 Heavy Atoms:   25
Charge:   0 Is Chiral:   False logP:   3.7358
HBD:   2 HBA:   5 TPSA:   73.74
#Bonds:   27 #Rotatable Bonds:   8 Shape Complexity:   0.4
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Spindlin-1 Q9Y657 (SPIN1_HUMAN) Homo sapiens 6QPL IC50 : 77.0 nM Binding MOAD SHOW