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BioLiP

PDB CCD ID: LAL
Number of entries in BioLiP: 0
Chemical formula: C5 H11 N O2
InChI: InChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)/t4-/m0/s1
InChIKey: QCYOIFVBYZNUNW-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)O)N(C)C
CACTVS 3.341C[C@H](N(C)C)C(O)=O
CACTVS 3.341C[CH](N(C)C)C(O)=O
OpenEye OEToolkits 1.5.0CC(C(=O)O)N(C)C
ACDLabs 10.04O=C(O)C(N(C)C)C
Name:N,N-DIMETHYL-L-ALANINE
DrugBank: DB02167
ZINC: ZINC000004829414
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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