SEQ2FUN

BioLiP

PDB CCD ID: 0YF
Number of entries in BioLiP: 0
Chemical formula: C15 H14 O2
InChI: InChI=1S/C15H14O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,16,17)
InChIKey: MVFHRQWYCXYYMU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CCc1ccc(cc1)c2ccccc2
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2ccc(cc2)CCC(=O)O
CACTVS 3.370OC(=O)CCc1ccc(cc1)c2ccccc2
Name:3-(biphenyl-4-yl)propanoic acid
ZINC: ZINC000009998612
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).