SEQ2FUN

BioLiP

PDB CCD ID: FQI
Number of entries in BioLiP: 1
Chemical formula: C5 H4 Cl N O S
InChI: InChI=1S/C5H4ClNOS/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H2,7,8)
InChIKey: OMOBWMBJNNCUFO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(N)c1sc(Cl)cc1
OpenEye OEToolkits 1.7.6c1cc(sc1C(=O)N)Cl
CACTVS 3.385NC(=O)c1sc(Cl)cc1
Name:5-CHLORO-2-THIOPHENECARBOXAMIDE
ChEMBL: CHEMBL3608990
ZINC: ZINC000002753342
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).