SEQ2FUN

BioLiP

PDB CCD ID: A1I29
Number of entries in BioLiP: 4
Chemical formula: C8 H11 N S
InChI: InChI=1S/C8H11NS/c9-5-7-4-6-2-1-3-8(6)10-7/h4H,1-3,5,9H2
InChIKey: JFWMSCGNMHKOHT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCc1sc2CCCc2c1
OpenEye OEToolkits 2.0.7c1c2c(sc1CN)CCC2
Name:5,6-dihydro-4~{H}-cyclopenta[b]thiophen-2-ylmethanamine
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).