SEQ2FUN

BioLiP

PDB CCD ID: SGI
Number of entries in BioLiP: 2
Chemical formula: C9 H11 N O2
InChI: InChI=1S/C9H11NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-2,4-5,11H,3,6H2,(H2,10,12)
InChIKey: OEHZEBOCZWCVMK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC(=O)CCc1ccc(O)cc1
ACDLabs 10.04O=C(N)CCc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CCC(=O)N)O
Name:3-(4-hydroxyphenyl)propanamide
ZINC: ZINC000002556352
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).