SEQ2FUN

BioLiP

PDB CCD ID: 7PI
Number of entries in BioLiP: 1
Chemical formula: C13 H10 N2 O2 S2
InChI: InChI=1S/C13H10N2O2S2/c16-19(17,15-10-4-9-14-15)13-8-7-12(18-13)11-5-2-1-3-6-11/h1-10H
InChIKey: UKYIIJUGJLWBAF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ccc(s2)S(=O)(=O)n3cccn3
CACTVS 3.385O=[S](=O)(n1cccn1)c2sc(cc2)c3ccccc3
Name:1-((5-phenylthiophen-2-yl)sulfonyl)-1H-pyrazole;
IMTVC-212
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).