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BioLiP

PDB CCD ID: NGQ
Number of entries in BioLiP: 2
Chemical formula: C6 H11 N3 O4
InChI: InChI=1S/C6H11N3O4/c7-6(8)9-3(5(12)13)1-2-4(10)11/h3H,1-2H2,(H,10,11)(H,12,13)(H4,7,8,9)/t3-/m0/s1
InChIKey: RHVVRMJOHATSPD-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NC(=N)N[C@@H](CCC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)C(NC(=[N@H])N)CCC(=O)O
OpenEye OEToolkits 1.7.0[H]/N=C(\N)/N[C@@H](CCC(=O)O)C(=O)O
CACTVS 3.370NC(=N)N[CH](CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)NC(=N)N
Name:N-carbamimidoyl-L-glutamic acid;
N-Guanidino-L-Glutamate
ChEMBL: CHEMBL1256283
ZINC: ZINC000001529598
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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