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BioLiP

PDB CCD ID: SR4
Number of entries in BioLiP: 1
Chemical formula: C11 H10 O3
InChI: InChI=1S/C11H10O3/c12-11(13)9-5-3-7-14-10-6-2-1-4-8(9)10/h1-2,4-6H,3,7H2,(H,12,13)
InChIKey: LEBOEWTWNOALHV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C1=CCCOc2ccccc12
OpenEye OEToolkits 2.0.6c1ccc2c(c1)C(=CCCO2)C(=O)O
Name:2,3-dihydro-1-benzoxepine-5-carboxylic acid
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)(download the PDF file).
  • 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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