Ligand

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Ligand Name:   4-(dipropylamino)butanenitrile
HET ID:   9AH PubChem:   98747
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCCN(CCCC#N)CCC
Standard InChI:   InChI=1S/C10H20N2/c1-3-8-12(9-4-2)10-6-5-7-11/h3-6,8-10H2,1-2H3
Molecular Formula:   C10H20N2 Mol. Weight:   168.2792 Heavy Atoms:   12
Charge:   0 Is Chiral:   False logP:   2.41218
HBD:   0 HBA:   2 TPSA:   27.03
#Bonds:   11 #Rotatable Bonds:   7 Shape Complexity:   1.0
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
DNA (cytosine-5)-methyltransferase 3B Q9UBC3 (DNM3B_HUMAN) Homo sapiens 5NV0
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