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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: A98
Number of entries in BioLiP: 1
Chemical formula: C6 H9 N3 O2 S2
InChI: InChI=1S/C6H9N3O2S2/c1-3-12-6-9-8-4(13-6)7-5(10)11-2/h3H2,1-2H3,(H,7,8,10)
InChIKey: SSCYIPXZAWJONZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCSc1sc(NC(=O)OC)nn1
OpenEye OEToolkits 2.0.6CCSc1nnc(s1)NC(=O)OC
Name:methyl ~{N}-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamate
ZINC: ZINC000000995905

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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