SEQ2FUN

BioLiP

PDB CCD ID: A1CLY
Number of entries in BioLiP: 2
Chemical formula: C11 H8 F N O S
InChI: InChI=1S/C11H8FNOS/c12-8-3-5-9(6-4-8)13-11(14)10-2-1-7-15-10/h1-7H,(H,13,14)
InChIKey: GCPZKOCHNSMRNY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52O=C(Nc1ccc(F)cc1)c1cccs1
OpenEye OEToolkits 3.1.0.0c1cc(sc1)C(=O)Nc2ccc(cc2)F
CACTVS 3.385Fc1ccc(NC(=O)c2sccc2)cc1
Name:N-(4-fluorophenyl)thiophene-2-carboxamide
ChEMBL: CHEMBL1531343
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).