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BioLiP

PDB CCD ID: ZYJ
Number of entries in BioLiP: 0
Chemical formula: C14 H18 N2 O5
InChI: InChI=1S/C14H18N2O5/c1-19-12-4-3-9(5-13(12)20-2)7-16-21-10-6-11(14(17)18)15-8-10/h3-5,7,10-11,15H,6,8H2,1-2H3,(H,17,18)/b16-7+/t10-,11+/m1/s1
InChIKey: JZPOVOVBIVKIMT-HJILZNIMSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C2NCC(O\N=C\c1ccc(OC)c(OC)c1)C2
OpenEye OEToolkits 1.7.0COc1ccc(cc1OC)/C=N/O[C@@H]2C[C@H](NC2)C(=O)O
OpenEye OEToolkits 1.7.0COc1ccc(cc1OC)C=NOC2CC(NC2)C(=O)O
CACTVS 3.370COc1ccc(/C=N/O[C@H]2CN[C@@H](C2)C(O)=O)cc1OC
CACTVS 3.370COc1ccc(C=NO[CH]2CN[CH](C2)C(O)=O)cc1OC
Name:(4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline
ZINC: ZINC000066157148
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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