Ligand

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Ligand Name:   2,6-dichloro-N-[1-(propan-2-yl)piperidin-4-yl]benzamide
HET ID:   R3P PubChem:   25236799
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(N1CCC(CC1)NC(=O)c1c(Cl)cccc1Cl)C
Standard InChI:   InChI=1S/C15H20Cl2N2O/c1-10(2)19-8-6-11(7-9-19)18-15(20)14-12(16)4-3-5-13(14)17/h3-5,10-11H,6-9H2,1-2H3,(H,18,20)
Molecular Formula:   C15H20Cl2N2O Mol. Weight:   315.2381 Heavy Atoms:   20
Charge:   0 Is Chiral:   False logP:   3.9248
HBD:   1 HBA:   3 TPSA:   32.34
#Bonds:   21 #Rotatable Bonds:   4 Shape Complexity:   0.53333336
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Hemagglutinin Q1KHJ8 (Q1KHJ8_9INFA) Influenza A virus 6VMZ
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