SEQ2FUN

BioLiP

PDB CCD ID: W16
Number of entries in BioLiP: 4
Chemical formula: C4 H6 Cl N3 S
InChI: InChI=1S/C4H6ClN3S/c5-2-1-3-7-8-4(6)9-3/h1-2H2,(H2,6,8)
InChIKey: XGIWQRDVHNRICP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01ClCCc1nnc(s1)N
OpenEye OEToolkits 1.7.2C(CCl)c1nnc(s1)N
CACTVS 3.370Nc1sc(CCCl)nn1
Name:5-(2-CHLOROETHYL)-1,3,4-THIADIAZOL-2-AMINE
ChEMBL: CHEMBL1650275
ZINC: ZINC000034439048
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).