SEQ2FUN

BioLiP

PDB CCD ID: SYR
Number of entries in BioLiP: 2
Chemical formula: C10 H12 O5
InChI: InChI=1S/C10H12O5/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5,11H,1-3H3
InChIKey: ZMXJAEGJWHJMGX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(OC)c1cc(OC)c(O)c(OC)c1
CACTVS 3.341COC(=O)c1cc(OC)c(O)c(OC)c1
OpenEye OEToolkits 1.5.0COc1cc(cc(c1O)OC)C(=O)OC
Name:SYRINGATE
ChEMBL: CHEMBL1236122
DrugBank: DB08589
ZINC: ZINC000000394334
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).