SEQ2FUN

BioLiP

PDB CCD ID: SW1
Number of entries in BioLiP: 2
Chemical formula: C8 H8 N2 S2
InChI: InChI=1S/C8H8N2S2/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h1-3,5H,4,9H2
InChIKey: VZBJIPJKJKKWPH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1cc(sc1)c2nc(cs2)CN
CACTVS 3.370NCc1csc(n1)c2sccc2
ACDLabs 12.01s1cccc1c2nc(cs2)CN
Name:1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine
ZINC: ZINC000000158694
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).