SEQ2FUN

BioLiP

PDB CCD ID: S0K
Number of entries in BioLiP: 1
Chemical formula: C15 H16 N2 O2 S
InChI: InChI=1S/C15H16N2O2S/c18-15(12-5-10-20-11-12)16-13-3-1-2-4-14(13)17-6-8-19-9-7-17/h1-5,10-11H,6-9H2,(H,16,18)
InChIKey: SULRJGWRXWPTDW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(Nc1ccccc1N2CCOCC2)c3cscc3
OpenEye OEToolkits 1.7.6c1ccc(c(c1)NC(=O)c2ccsc2)N3CCOCC3
ACDLabs 12.01O=C(Nc1ccccc1N2CCOCC2)c3ccsc3
Name:N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
ChEMBL: CHEMBL3233609
ZINC: ZINC000000153993
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).