SEQ2FUN

BioLiP

PDB CCD ID: 6N4
Number of entries in BioLiP: 2
Chemical formula: C9 H10 N2 O S
InChI: InChI=1S/C9H10N2OS/c12-5-6-13-9-10-7-3-1-2-4-8(7)11-9/h1-4,12H,5-6H2,(H,10,11)
InChIKey: HFDPECWVRWDXHN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCSc1[nH]c2ccccc2n1
OpenEye OEToolkits 1.7.6c1ccc2c(c1)[nH]c(n2)SCCO
Name:2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL
ChEMBL: CHEMBL4561138
ZINC: ZINC000004417834
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).