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BioLiP

PDB CCD ID: GUS
Number of entries in BioLiP: 1
Chemical formula: C11 H14 N4 O3
InChI: InChI=1S/C11H14N4O3/c1-6(10(17)18)14-5-7-4-8(15-11(12)13)2-3-9(7)16/h2-6,16H,1H3,(H,17,18)(H4,12,13,15)/b14-5+/t6-/m0/s1
InChIKey: XIDJFBOMDZEVTM-JHKKWMAKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352C[CH](N=Cc1cc(NC(N)=N)ccc1O)C(O)=O
OpenEye OEToolkits 1.7.0CC(C(=O)O)N=Cc1cc(ccc1O)NC(=N)N
CACTVS 3.352C[C@H](N=Cc1cc(NC(N)=N)ccc1O)C(O)=O
OpenEye OEToolkits 1.7.0[H]/N=C(\N)/Nc1ccc(c(c1)/C=N/[C@@H](C)C(=O)O)O
Name:(E)-N-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-L-alanine;
m-guanidinosalicylidene-L-alanine
ZINC: ZINC000058632305
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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