SEQ2FUN

BioLiP

PDB CCD ID: 17W
Number of entries in BioLiP: 1
Chemical formula: C15 H14 N2 O S
InChI: InChI=1S/C15H14N2OS/c1-2-6-12(7-3-1)18-10-11-19-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
InChIKey: UEYUFQWEHMSHIX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)OCCSc2[nH]c3ccccc3n2
CACTVS 3.370C(CSc1[nH]c2ccccc2n1)Oc3ccccc3
ACDLabs 12.01n2c1ccccc1nc2SCCOc3ccccc3
Name:2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazole
ChEMBL: CHEMBL1563710
ZINC: ZINC000002329491
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).