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BioLiP Library

PDB CCD ID: 2W2
Number of entries in BioLiP: 2
Chemical formula: C11 H20 N4 O6
InChI: InChI=1S/C11H20N4O6/c12-11(13)14-5-1-2-6(9(18)19)15-7(10(20)21)3-4-8(16)17/h6-7,15H,1-5H2,(H,16,17)(H,18,19)(H,20,21)(H4,12,13,14)/t6-,7+/m0/s1
InChIKey: LMKYZBGVKHTLTN-NKWVEPMBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=N)NCCC[CH](N[CH](CCC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N[C@H](CCC(=O)O)C(=O)O
ACDLabs 12.01O=C(O)C(NC(C(=O)O)CCC(=O)O)CCCNC(=[N@H])N
CACTVS 3.385NC(=N)NCCC[C@H](N[C@H](CCC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(C(=O)O)NC(CCC(=O)O)C(=O)O)CNC(=N)N
Name:N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid;
Nopaline
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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