SEQ2FUN

BioLiP

PDB CCD ID: 2QC
Number of entries in BioLiP: 4
Chemical formula: C9 H9 N3 S
InChI: InChI=1S/C9H9N3S/c10-5-7-1-3-8(4-2-7)9-6-13-12-11-9/h1-4,6H,5,10H2
InChIKey: FWSCINFUBQNPJM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1CN)c2csnn2
CACTVS 3.385NCc1ccc(cc1)c2csnn2
ACDLabs 12.01n1nscc1c2ccc(cc2)CN
Name:1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine
ChEMBL: CHEMBL3775458
ZINC: ZINC000000158841
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).