SEQ2FUN

BioLiP

PDB CCD ID: 5VB
Number of entries in BioLiP: 1
Chemical formula: C15 H13 N O S
InChI: InChI=1S/C15H13NOS/c17-15-5-2-7-16(15)10-12-3-1-4-13(9-12)14-6-8-18-11-14/h1-4,6-9,11H,5,10H2
InChIKey: DMVGEVMEROXRGX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1CC=CN1Cc2cccc(c2)c3cscc3
OpenEye OEToolkits 2.0.4c1cc(cc(c1)c2ccsc2)CN3C=CCC3=O
Name:1-[(3-thiophen-3-ylphenyl)methyl]-3~{H}-pyrrol-2-one
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).