SEQ2FUN

BioLiP

PDB CCD ID: BVC
Number of entries in BioLiP: 1
Chemical formula: C5 H7 N S
InChI: InChI=1S/C5H7NS/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2
InChIKey: DUDAKCCDHRNMDJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cscc1CN
CACTVS 3.341NCc1cscc1
ACDLabs 10.04s1ccc(c1)CN
Name:1-THIEN-3-YLMETHANAMINE;
3-THIENYLMETHYLAMINE
ChEMBL: CHEMBL252602
ZINC: ZINC000000158761
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).