SEQ2FUN

BioLiP

PDB CCD ID: 3PL
Number of entries in BioLiP: 8
Chemical formula: C9 H10 O
InChI: InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
InChIKey: YGCZTXZTJXYWCO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		O=CCCc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCC=O
Name:3-PHENYLPROPANAL
ChEMBL: CHEMBL440161
ZINC: ZINC000001699889
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).