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BioLiP

PDB CCD ID: 16L
Number of entries in BioLiP: 2
Chemical formula: C19 H19 N O2
InChI: InChI=1S/C19H19NO2/c1-4-18(21)20-17-7-5-6-15(12-17)8-9-16-10-13(2)19(22)14(3)11-16/h4-12,22H,1H2,2-3H3,(H,20,21)/b9-8+
InChIKey: DRLFABBDFNCSSQ-CMDGGOBGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc(cc(c1O)C)C=Cc2cccc(c2)NC(=O)C=C
CACTVS 3.370Cc1cc(C=Cc2cccc(NC(=O)C=C)c2)cc(C)c1O
CACTVS 3.370Cc1cc(\C=C\c2cccc(NC(=O)C=C)c2)cc(C)c1O
ACDLabs 12.01O=C(\C=C)Nc1cccc(c1)\C=C\c2cc(c(O)c(c2)C)C
OpenEye OEToolkits 1.7.6Cc1cc(cc(c1O)C)/C=C/c2cccc(c2)NC(=O)C=C
Name:N-{3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}prop-2-enamide
ZINC: ZINC000095921082
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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