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BioLiP

PDB CCD ID: MS0
Number of entries in BioLiP: 4
Chemical formula: C11 H10 O4
InChI: InChI=1S/C11H10O4/c1-14-8-2-3-9-7(4-11(12)13)6-15-10(9)5-8/h2-3,5-6H,4H2,1H3,(H,12,13)
InChIKey: QCXJFLREQGIACT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)Cc1c2ccc(OC)cc2oc1
OpenEye OEToolkits 1.7.0COc1ccc2c(c1)occ2CC(=O)O
CACTVS 3.370COc1ccc2c(CC(O)=O)coc2c1
Name:(6-methoxy-1-benzofuran-3-yl)acetic acid
ChEMBL: CHEMBL1234470
ZINC: ZINC000000161694
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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