SEQ2FUN

BioLiP

PDB CCD ID: H0J
Number of entries in BioLiP: 2
Chemical formula: C10 H8 N2 S2
InChI: InChI=1S/C10H8N2S2/c11-10(13)9-5-4-8(14-9)7-3-1-2-6-12-7/h1-6H,(H2,11,13)
InChIKey: VOYHCOULKKDLRP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccnc(c1)c2ccc(s2)C(=S)N
ACDLabs 12.01n2c(c1sc(cc1)C(=S)N)cccc2
CACTVS 3.385NC(=S)c1sc(cc1)c2ccccn2
Name:5-(pyridin-2-yl)thiophene-2-carbothioamide
ZINC: ZINC000000158469
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).