SEQ2FUN

BioLiP

PDB CCD ID: HPP
Number of entries in BioLiP: 6
Chemical formula: C9 H10 O3
InChI: InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)
InChIKey: NMHMNPHRMNGLLB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)CCc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CCC(=O)O)O
CACTVS 3.341OC(=O)CCc1ccc(O)cc1
Name:HYDROXYPHENYL PROPIONIC ACID
ChEMBL: CHEMBL1172560
DrugBank: DB03897
ZINC: ZINC000008383206
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).