SEQ2FUN

BioLiP

PDB CCD ID: 4W1
Number of entries in BioLiP: 1
Chemical formula: C9 H8 O S
InChI: InChI=1S/C9H8OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,10H,5H2
InChIKey: UYGMKSKKGSUAHB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1c2c(ccc1)c(cs2)CO
OpenEye OEToolkits 1.9.2c1ccc2c(c1)c(cs2)CO
CACTVS 3.385OCc1csc2ccccc12
Name:1-benzothiophen-3-ylmethanol
ChEMBL: CHEMBL3358210
ZINC: ZINC000000158712
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).