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BioLiP

PDB CCD ID: BAL
Number of entries in BioLiP: 18
Chemical formula: C3 H7 N O2
InChI: InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
InChIKey: UCMIRNVEIXFBKS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NCCC(O)=O
OpenEye OEToolkits 1.7.0C(CN)C(=O)O
ACDLabs 12.01O=C(O)CCN
Name:BETA-ALANINE
ChEMBL: CHEMBL297569
DrugBank: DB03107
ZINC: ZINC000004658555
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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