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BioLiP Library

PDB CCD ID: 8DM
Number of entries in BioLiP: 6
Chemical formula: C12 H14 N2 O5
InChI: InChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1
InChIKey: GADGMZDHLQLZRI-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
CACTVS 3.385Nc1ccc(cc1)C(=O)N[CH](CCC(O)=O)C(O)=O
CACTVS 3.385Nc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
ACDLabs 12.01c1(ccc(cc1)C(NC(C(=O)O)CCC(O)=O)=O)N
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N
Name:N-(4-aminobenzene-1-carbonyl)-L-glutamic acid
ChEMBL: CHEMBL3278332
ZINC: ZINC000001696610
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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