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BioLiP

PDB CCD ID: U62
Number of entries in BioLiP: 1
Chemical formula: C12 H8 O3 S
InChI: InChI=1S/C12H8O3S/c13-12(14)10-5-7-6-15-9-4-2-1-3-8(9)11(7)16-10/h1-5H,6H2,(H,13,14)
InChIKey: ZMEWPWRPNHFDRC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)-c3c(cc(s3)C(=O)O)CO2
CACTVS 3.385OC(=O)c1sc2c(COc3ccccc23)c1
Name:4~{H}-thieno[3,2-c]chromene-2-carboxylic acid
ChEMBL: CHEMBL1499110
ZINC: ZINC000002650671
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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