SEQ2FUN

BioLiP

PDB CCD ID: BP4
Number of entries in BioLiP: 2
Chemical formula: C14 H12 O2
InChI: InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
InChIKey: QRZAKQDHEVVFRX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)Cc1ccc(cc1)c2ccccc2
OpenEye OEToolkits 1.7.0c1ccc(cc1)c2ccc(cc2)CC(=O)O
ACDLabs 12.01O=C(O)Cc1ccc(cc1)c2ccccc2
Name:biphenyl-4-ylacetic acid
ChEMBL: CHEMBL413965
DrugBank: DB07477
ZINC: ZINC000000002318
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).