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BioLiP

PDB CCD ID: LCT
Number of entries in BioLiP: 1
Chemical formula: C10 H8 N4 O3 S
InChI: InChI=1S/C10H8N4O3S/c1-6(15)11-10-13-12-9(18-10)7-2-4-8(5-3-7)14(16)17/h2-5H,1H3,(H,11,13,15)
InChIKey: KTJUGKNFZGGFIC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)Nc1nnc(s1)c2ccc(cc2)[N+](=O)[O-]
ACDLabs 12.01O=C(Nc1nnc(s1)c2ccc([N+]([O-])=O)cc2)C
CACTVS 3.385CC(=O)Nc1sc(nn1)c2ccc(cc2)[N+]([O-])=O
Name:N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
ChEMBL: CHEMBL2087004
ZINC: ZINC000006781009
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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