SEQ2FUN

BioLiP

PDB CCD ID: 6W0
Number of entries in BioLiP: 1
Chemical formula: C16 H16 N2 O2 S
InChI: InChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)
InChIKey: ZQZRVLFBPXQREF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COCc1cccc(NC(=O)c2cc3sccc3n2C)c1
OpenEye OEToolkits 2.0.5Cn1c2ccsc2cc1C(=O)Nc3cccc(c3)COC
Name:~{N}-[3-(methoxymethyl)phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide
ChEMBL: CHEMBL4066708
ZINC: ZINC000040786272
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).