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BioLiP

PDB CCD ID: NLG
Number of entries in BioLiP: 60
Chemical formula: C7 H11 N O5
InChI: InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1
InChIKey: RFMMMVDNIPUKGG-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(NC(C(=O)O)CCC(=O)O)C
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H](CCC(=O)O)C(=O)O
CACTVS 3.341CC(=O)N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.341CC(=O)N[CH](CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)NC(CCC(=O)O)C(=O)O
Name:N-ACETYL-L-GLUTAMATE
ChEMBL: CHEMBL1234751
DrugBank: DB04075
ZINC: ZINC000001532704
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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