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BioLiP

PDB CCD ID: RQG
Number of entries in BioLiP: 1
Chemical formula: C11 H10 O3
InChI: InChI=1S/C11H10O3/c1-7-2-3-10-9(4-7)8(6-14-10)5-11(12)13/h2-4,6H,5H2,1H3,(H,12,13)
InChIKey: DUMCTHVOZLFMDK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc2occ(CC(O)=O)c2c1
OpenEye OEToolkits 2.0.7Cc1ccc2c(c1)c(co2)CC(=O)O
ACDLabs 12.01C(Cc2c1cc(C)ccc1oc2)(O)=O
Name:(5-methyl-1-benzofuran-3-yl)acetic acid
ZINC: ZINC000008028739
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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