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
International Nonproprietary Names
INN number INN
6161 alanine
Synonyms
L-Ala
Database Links
BindingDB Ligand 50000099
CAS Registry No. 56-41-7 (source: DrugBank)
ChEBI CHEBI:16977
ChEMBL Ligand 120118
DrugBank Ligand DB00160
Human Metabolome Database HMDB00161
PharmGKB Drug PA448055
PubChem CID 5950
RCSB PDB Ligand DAL, ALA
Search Google for chemical match using the InChIKey QNAYBMKLOCPYGJ-REOHCLBHSA-N
Search Google for chemicals with the same backbone QNAYBMKLOCPYGJ
Search PubMed clinical trials alanine
Search PubMed titles alanine
Search PubMed titles/abstracts alanine
Wikipedia Alanine
ZINC ZINC04658553

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