Ligand Id: 720
Ligand name L-alanine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 63.32
Molecular weight 89.05
XLogP -2.82
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands Radio analogues
Classification
Compound class Metabolite or derivative
Approved drug? Yes (source: DrugBank)
DrugBank groups experimental
IUPAC Name
(2S)-2-aminopropanoic acid
Synonyms
L-Ala
Database Links
BindingDB Ligand 50000099
CAS Registry No. 56-41-7 (source: DrugBank)
ChEBI CHEBI:16977
ChEMBL Ligand 204181, 109400, 120118
DrugBank Ligand DB00160, DB01786
Human Metabolome Database HMDB00161
PharmGKB Drug PA448055
PubChem CID 5950
RCSB PDB Ligand DAL, ALA
Search on ChemSpider QNAYBMKLOCPYGJ-REOHCLBHSA-N
Wikipedia Alanine
ZINC ZINC04658553

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org

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