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BioLiP

PDB CCD ID: V5O
Number of entries in BioLiP: 1
Chemical formula: C13 H13 N O3
InChI: InChI=1S/C13H13NO3/c15-12-2-1-9-14(12)11-6-3-10(4-7-11)5-8-13(16)17/h3-8H,1-2,9H2,(H,16,17)/b8-5+
InChIKey: SMWOSZUZMNXRKC-VMPITWQZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)/C=C/c1ccc(cc1)N2CCCC2=O
OpenEye OEToolkits 2.0.7c1cc(ccc1C=CC(=O)O)N2CCCC2=O
CACTVS 3.385OC(=O)C=Cc1ccc(cc1)N2CCCC2=O
OpenEye OEToolkits 2.0.7c1cc(ccc1/C=C/C(=O)O)N2CCCC2=O
ACDLabs 12.01O=C(O)/C=C/c1ccc(cc1)N1CCCC1=O
Name:(2E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoic acid
ZINC: ZINC000012505141
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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