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BioLiP Library

PDB CCD ID: 85G
Number of entries in BioLiP: 0
Chemical formula: C7 H14 N2 O3
InChI: InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKey: DATAGRPVKZEWHA-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCNC(=O)CCC(C(=O)O)N
CACTVS 3.385CCNC(=O)CC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.6CCNC(=O)CC[C@@H](C(=O)O)N
ACDLabs 12.01NC(C(O)=O)CCC(NCC)=O
CACTVS 3.385CCNC(=O)CC[CH](N)C(O)=O
Name:N-ethyl-L-glutamine
ChEMBL: CHEMBL3039113
DrugBank: DB12444
ZINC: ZINC000001532828
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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