SEQ2FUN

BioLiP

PDB CCD ID: QYE
Number of entries in BioLiP: 0
Chemical formula: C7 H5 Cl N2 S
InChI: InChI=1S/C7H5ClN2S/c8-5-3-10-7(9)4-1-2-11-6(4)5/h1-3H,(H2,9,10)
InChIKey: DWRQGAFGEAHGJN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1csc2c1c(ncc2Cl)N
CACTVS 3.385Nc1ncc(Cl)c2sccc12
Name:7-chlorothieno[3,2-c]pyridin-4-amine;
7-chloranylthieno[3,2-c]pyridin-4-amine
ChEMBL: CHEMBL5089793
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).