Ligand

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Ligand Name:   1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium
HET ID:   IVL PubChem:   21578870
DrugBank:   - ChEMBL:   CHEMBL3306340
Canonical SMILES:   OC(=O)CCC[N+]1(C)CCCC1
Standard InChI:   InChI=1S/C9H17NO2/c1-10(6-2-3-7-10)8-4-5-9(11)12/h2-8H2,1H3/p+1
Molecular Formula:   C9H18NO2+ Mol. Weight:   172.24472 Heavy Atoms:   12
Charge:   1 Is Chiral:   False logP:   1.0504
HBD:   1 HBA:   2 TPSA:   37.3
#Bonds:   12 #Rotatable Bonds:   4 Shape Complexity:   0.8888889
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 4BG1 IC50 : 490.0 nM Binding MOAD SHOW