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BioLiP

PDB CCD ID: 62H
Number of entries in BioLiP: 0
Chemical formula: C4 H9 N O2
InChI: InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKey: QCHPKSFMDHPSNR-VKHMYHEASA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NCC(C(=O)O)C
OpenEye OEToolkits 2.0.4C[C@@H](CN)C(=O)O
CACTVS 3.385C[CH](CN)C(O)=O
OpenEye OEToolkits 2.0.4CC(CN)C(=O)O
CACTVS 3.385C[C@@H](CN)C(O)=O
Name:(2S)-3-amino-2-methylpropanoic acid
ZINC: ZINC000000895531
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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