Ligand

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Ligand Name:   6-dipropylamino-1-hexanol
HET ID:   96K PubChem:   142645
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCCN(CCC)CCCCCCO
Standard InChI:   InChI=1S/C12H27NO/c1-3-9-13(10-4-2)11-7-5-6-8-12-14/h14H,3-12H2,1-2H3
Molecular Formula:   C12H27NO Mol. Weight:   201.34888 Heavy Atoms:   14
Charge:   0 Is Chiral:   False logP:   2.6611
HBD:   1 HBA:   2 TPSA:   23.47
#Bonds:   13 #Rotatable Bonds:   10 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 5NRV
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