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BioLiP

PDB CCD ID: AIB
Number of entries in BioLiP: 1
Chemical formula: C4 H9 N O2
InChI: InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
InChIKey: FUOOLUPWFVMBKG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)(C)C
OpenEye OEToolkits 1.5.0CC(C)(C(=O)O)N
CACTVS 3.341CC(C)(N)C(O)=O
Name:ALPHA-AMINOISOBUTYRIC ACID
ChEMBL: CHEMBL1230906
DrugBank: DB02952
ZINC: ZINC000000901801
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)(download the PDF file).
  • 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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