SEQ2FUN

BioLiP

PDB CCD ID: 2D2
Number of entries in BioLiP: 1
Chemical formula: C12 H10 O3
InChI: InChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
InChIKey: VLMNACSEESRUAK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1oc(cc1C(O)=O)c2ccccc2
ACDLabs 12.01O=C(O)c1cc(oc1C)c2ccccc2
OpenEye OEToolkits 1.7.6Cc1c(cc(o1)c2ccccc2)C(=O)O
Name:2-methyl-5-phenylfuran-3-carboxylic acid
ChEMBL: CHEMBL5208985
ZINC: ZINC000000158808
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).