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BioLiP

PDB CCD ID: XPV
Number of entries in BioLiP: 1
Chemical formula: C16 H12 O3
InChI: InChI=1S/C16H12O3/c17-16(18)9-13-10-19-15-8-12(6-7-14(13)15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,17,18)
InChIKey: UIXZLSWUYGJHOL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)Cc1coc2cc(ccc12)c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ccc3c(c2)occ3CC(=O)O
ACDLabs 12.01O=C(O)Cc1coc2cc(ccc12)c3ccccc3
Name:(6-phenyl-1-benzofuran-3-yl)acetic acid
ChEMBL: CHEMBL4860222
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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