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BioLiP

PDB CCD ID: 2AG
Number of entries in BioLiP: 9
Chemical formula: C5 H9 N O2
InChI: InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m0/s1
InChIKey: WNNNWFKQCKFSDK-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2C=CCC(C(=O)O)N
OpenEye OEToolkits 1.7.2C=CC[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CC=C)C(O)=O
CACTVS 3.370N[CH](CC=C)C(O)=O
ACDLabs 12.01O=C(O)C(N)C/C=C
Name:(2S)-2-aminopent-4-enoic acid;
L-allylglycine
ChEMBL: CHEMBL1229875
ZINC: ZINC000001696507
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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