SEQ2FUN

BioLiP

PDB CCD ID: SWD
Number of entries in BioLiP: 1
Chemical formula: C6 H3 Cl N2 S
InChI: InChI=1S/C6H3ClN2S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H
InChIKey: TWTODSLDHCDLDR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ncnc2ccsc12
OpenEye OEToolkits 2.0.6c1csc2c1ncnc2Cl
Name:4-chloranylthieno[3,2-d]pyrimidine
ChEMBL: CHEMBL2113964
ZINC: ZINC000000159912
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).