SEQ2FUN

BioLiP

PDB CCD ID: TID
Number of entries in BioLiP: 1
Chemical formula: C9 H7 N3 O2 S
InChI: InChI=1S/C9H7N3O2S/c10-9-12-11-7(15-9)5-1-3-6(4-2-5)8(13)14/h1-4H,(H2,10,12)(H,13,14)
InChIKey: LQHNMNCRCCSJQW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Nc1sc(nn1)c2ccc(cc2)C(O)=O
OpenEye OEToolkits 1.7.2c1cc(ccc1c2nnc(s2)N)C(=O)O
ACDLabs 12.01O=C(O)c2ccc(c1nnc(s1)N)cc2
Name:4-(5-amino-1,3,4-thiadiazol-2-yl)benzoic acid
ChEMBL: CHEMBL454681
ZINC: ZINC000000106364
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).