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BioLiP

PDB CCD ID: JLM
Number of entries in BioLiP: 3
Chemical formula: C10 H8 O3
InChI: InChI=1S/C10H8O3/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H,11,12)
InChIKey: YMZTUCZCQMQFMK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c12c(C)c(C(O)=O)oc1cccc2
CACTVS 3.385Cc1c(oc2ccccc12)C(O)=O
OpenEye OEToolkits 2.0.6Cc1c2ccccc2oc1C(=O)O
Name:3-methyl-1-benzofuran-2-carboxylic acid
ZINC: ZINC000000107768
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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