SEQ2FUN

BioLiP

PDB CCD ID: DH6
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N O
InChI: InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+
InChIKey: APEJMQOBVMLION-VOTSOKGWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)/C=C/C(=O)N
CACTVS 3.385NC(=O)C=Cc1ccccc1
OpenEye OEToolkits 1.7.6c1ccc(cc1)C=CC(=O)N
CACTVS 3.385NC(=O)\C=C\c1ccccc1
Name:CINNAMIDE
ChEMBL: CHEMBL5280551
ZINC: ZINC000001665286
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).