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BioLiP Library

PDB CCD ID: UID
Number of entries in BioLiP: 6
Chemical formula: C11 H13 N O2
InChI: InChI=1S/C11H13NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2,12H2,1H3/b8-5+
InChIKey: NRPMBSHHBFFYBF-VMPITWQZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOC(=O)C=Cc1ccc(cc1)N
OpenEye OEToolkits 2.0.7CCOC(=O)/C=C/c1ccc(cc1)N
CACTVS 3.385CCOC(=O)C=Cc1ccc(N)cc1
CACTVS 3.385CCOC(=O)\C=C\c1ccc(N)cc1
Name:ethyl (E)-3-(4-aminophenyl)prop-2-enoate
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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