SEQ2FUN

BioLiP

PDB CCD ID: U65
Number of entries in BioLiP: 1
Chemical formula: C13 H10 O3 S
InChI: InChI=1S/C13H10O3S/c1-15-13(14)11-6-8-7-16-10-5-3-2-4-9(10)12(8)17-11/h2-6H,7H2,1H3
InChIKey: SSWWLCIIZQNEAE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)c1sc2c(COc3ccccc23)c1
OpenEye OEToolkits 2.0.7COC(=O)c1cc2c(s1)-c3ccccc3OC2
Name:methyl 3~{a},4-dihydro-3~{H}-thieno[3,2-c]chromene-2-carboxylate
ChEMBL: CHEMBL1352800
ZINC: ZINC000003645794

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).