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BioLiP

PDB CCD ID: QKU
Number of entries in BioLiP: 3
Chemical formula: C14 H12 O3
InChI: InChI=1S/C14H12O3/c15-9-10-3-1-4-11(7-10)12-5-2-6-13(8-12)14(16)17/h1-8,15H,9H2,(H,16,17)
InChIKey: SWVDMIKPVOEKNC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCc1cccc(c1)c2cccc(c2)C(O)=O
OpenEye OEToolkits 2.0.6c1cc(cc(c1)c2cccc(c2)C(=O)O)CO
Name:3-[3-(hydroxymethyl)phenyl]benzoic acid
ChEMBL: CHEMBL4172334
ZINC: ZINC000016947602
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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