Ligand

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Ligand Name:   N-benzyl-N,N-diethylethanaminium
HET ID:   BTM PubChem:   17208
DrugBank:   - ChEMBL:   CHEMBL1231492
Canonical SMILES:   CC[N+](Cc1ccccc1)(CC)CC
Standard InChI:   InChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1
Molecular Formula:   C13H22N+ Mol. Weight:   192.32048 Heavy Atoms:   14
Charge:   1 Is Chiral:   False logP:   3.0631
HBD:   0 HBA:   0 TPSA:   0.0
#Bonds:   14 #Rotatable Bonds:   5 Shape Complexity:   0.53846157
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Epi-isozizaene synthase Q9K499 (CYC1_STRCO) Streptomyces coelicolor 4LXW
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Epi-isozizaene synthase Q9K499 (CYC1_STRCO) Streptomyces coelicolor 6OFV
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Epi-isozizaene synthase Q9K499 (CYC1_STRCO) Streptomyces coelicolor 6AXU
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Epi-isozizaene synthase Q9K499 (CYC1_STRCO) Streptomyces coelicolor 4LZ3
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