SEQ2FUN

BioLiP

PDB CCD ID: ZTW
Number of entries in BioLiP: 2
Chemical formula: C14 H10 O2 S
InChI: InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H
InChIKey: MDGWZLQPNOETLH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Oc3ccc(c2sc1cc(O)ccc1c2)cc3
CACTVS 3.341Oc1ccc(cc1)c2sc3cc(O)ccc3c2
OpenEye OEToolkits 1.5.0c1cc(ccc1c2cc3ccc(cc3s2)O)O
Name:RALOXIFENE CORE
ChEMBL: CHEMBL431698
DrugBank: DB08773
ZINC: ZINC000003581478
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).