Ligand

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Ligand Name:   N-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide
HET ID:   NT4 PubChem:   66818569
DrugBank:   - ChEMBL:   CHEMBL3289023
Canonical SMILES:   N[C@@H]1CC[C@H](CC1)NC(=O)c1cc(cc(c1)Oc1ccc(cc1)C(=N)N)Oc1ccc(cc1)C(=N)N
Standard InChI:   InChI=1S/C27H30N6O3/c28-19-5-7-20(8-6-19)33-27(34)18-13-23(35-21-9-1-16(2-10-21)25(29)30)15-24(14-18)36-22-11-3-17(4-12-22)26(31)32/h1-4,9-15,19-20H,5-8,28H2,(H3,29,30)(H3,31,32)(H,33,34)/t19-,20-
Molecular Formula:   C27H30N6O3 Mol. Weight:   486.5655 Heavy Atoms:   36
Charge:   0 Is Chiral:   True logP:   6.5303
HBD:   6 HBA:   9 TPSA:   173.32
#Bonds:   41 #Rotatable Bonds:   9 Shape Complexity:   0.22222222
Stereocomplexity:   0.074074075
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Suppressor of tumorigenicity 14 protein Q9Y5Y6 (ST14_HUMAN) Homo sapiens 4O9V Ki : 10.0 nM BindingDB SHOW
Suppressor of tumorigenicity 14 protein Q9Y5Y6 (ST14_HUMAN) Homo sapiens 4O9V Ki : 10.0 nM Binding MOAD SHOW