SEQ2FUN

BioLiP

PDB CCD ID: Y3E
Number of entries in BioLiP: 1
Chemical formula: C9 H7 N S2
InChI: InChI=1S/C9H7NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChIKey: CYCKHTAVNBPQDB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385S=C1NC(=CS1)c2ccccc2
ACDLabs 12.01S=C1NC(=CS1)c1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2=CSC(=S)N2
Name:4-phenyl-1,3-thiazole-2(3H)-thione
ChEMBL: CHEMBL571436
ZINC: ZINC000001596410
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).