Ligand

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Ligand Name:   3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid
HET ID:   C2T PubChem:   13794690
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC[N+](NCCC(=O)O)(C)C
Standard InChI:   InChI=1S/C7H16N2O2/c1-4-9(2,3)8-6-5-7(10)11/h8H,4-6H2,1-3H3/p+1
Molecular Formula:   C7H17N2O2+ Mol. Weight:   161.22208 Heavy Atoms:   11
Charge:   1 Is Chiral:   False logP:   0.4529
HBD:   2 HBA:   3 TPSA:   49.33
#Bonds:   10 #Rotatable Bonds:   5 Shape Complexity:   0.85714287
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Gamma-butyrobetaine dioxygenase O75936 (BODG_HUMAN) Homo sapiens 4BHG
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