SEQ2FUN

BioLiP

PDB CCD ID: PPT
Number of entries in BioLiP: 1
Chemical formula: C10 H12 O2
InChI: InChI=1S/C10H12O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChIKey: LDYGRLNSOKABMM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)CCc1ccc(cc1)C
CACTVS 3.341Cc1ccc(CCC(O)=O)cc1
OpenEye OEToolkits 1.5.0Cc1ccc(cc1)CCC(=O)O
Name:3-(P-TOLYL)PROPIONIC ACID
ChEMBL: CHEMBL1235413
DrugBank: DB03400
ZINC: ZINC000000135745
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).